Friedhelm Bechstedt

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Friedhelm Bechstedt is affiliated with the following schools: University of Jena

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Friedhelm Bechstedt

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Physics

Friedhelm Bechstedt's Degrees

PhD Physics University of Jena
Masters Physics University of Jena
Bachelors Physics University of Jena

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Friedhelm Bechstedt's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Linear optical properties in the projector-augmented wave methodology (2006) (1944)
Absorption and Emission of Hexagonal InN. Evidence of Narrow Fundamental Band Gap. (2002) (888)
Semiempirical van der Waals correction to the density functional description of solids and molecular structures (2006) (624)
Quasiparticle band structure based on a generalized Kohn-Sham scheme (2006) (368)
Properties of strained wurtzite GaN and AlN: Ab initio studies (2002) (353)
Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3 (2009) (324)
First-principles study of ground- and excited-state properties of MgO , ZnO , and CdO polymorphs (2006) (306)
Absolute surface energies of group-IV semiconductors: Dependence on orientation and reconstruction (2002) (282)
Band Gap of Hexagonal InN and InGaN Alloys (2002) (276)
Direct Band Gap Wurtzite Gallium Phosphide Nanowires (2013) (273)
Band Gap of InN and In-Rich InxGa1?xN alloys (0.36 < x < 1) (2002) (260)
Attracted by long-range electron correlation: adenine on graphite. (2005) (238)
Polytypism and Properties of Silicon Carbide (1997) (213)
Optical properties of semiconductors using projector-augmented waves (2001) (207)
Massive Dirac quasiparticles in the optical absorbance of graphene, silicene, germanene, and tinene (2013) (197)
Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO (2009) (195)
Origin of electron accumulation at wurtzite InN surfaces (2004) (192)
Vacancies in SiC: Influence of Jahn-Teller distortions, spin effects, and crystal structure (1999) (189)
Ab initio lattice dynamics of BN and AlN: Covalent versus ionic forces (1997) (188)
Indium-oxide polymorphs from first principles: Quasiparticle electronic states (2008) (185)
Phonon deformation potentials of α-GaN and -AlN: An ab initio calculation (2000) (172)
Direct-bandgap emission from hexagonal Ge and SiGe alloys (2019) (165)
First-principles calculations of the thermodynamic and structural properties of strained 'In IND.X''Ga IND.1-X'N and 'Al IND.X''Ga IND.1-X' N alloys (2000) (157)
Branch-point energies and band discontinuities of III-nitrides and III-/II-oxides from quasiparticle band-structure calculations (2009) (151)
Optical properties of two-dimensional honeycomb crystals graphene, silicene, germanene, and tinene from first principles (2014) (150)
NOVEL RECONSTRUCTION MECHANISM FOR DANGLING-BOND MINIMIZATION : COMBINED METHOD SURFACE STRUCTURE DETERMINATION OF SIC(111)-(3 X 3) (1998) (145)
First-principles calculations of gap bowing in In x Ga 1 − x N and In x Al 1 − x N alloys: Relation to structural and thermodynamic properties (2002) (144)
Ab initio study of structural, dielectric, and dynamical properties of GaN (1998) (137)
Electronic bands of III-V semiconductor polytypes and their alignment (2012) (133)
Tin dioxide from first principles: Quasiparticle electronic states and optical properties (2011) (129)
Infrared absorbance of silicene and germanene (2012) (129)
Model GW band structure of InAs and GaAs in the wurtzite phase (2006) (128)
Optical and energy-loss spectra of MgO, ZnO, and CdO from ab initio many-body calculations (2009) (127)
Unit cell structure of crystal polytypes in InAs and InSb nanowires. (2011) (126)
Charge transport in organic crystals: Theory and modelling (2011) (125)
Hund's Rule-Driven Dzyaloshinskii-Moriya Interaction at 3d-5d Interfaces. (2016) (125)
Superlattices and Other Heterostructures, Symmetry and Optical Phenomena (1996) (125)
Structure, energetics, and electronic states of III–V compound polytypes (2013) (124)
Many-Body Approach to Electronic Excitations: Concepts and Applications (2016) (123)
First-principles optical spectra for F centers in MgO. (2012) (120)
Universal infrared absorbance of two-dimensional honeycomb group-IV crystals (2013) (119)
Phonons in ternary group-III nitride alloys (2000) (115)
Theory of charge transport in organic crystals: Beyond Holstein's small-polaron model (2009) (114)
Principles of Surface Physics (2003) (111)
Properties of hexagonal polytypes of group-IV elements from first-principles calculations (2002) (111)
Valence-band electronic structure of CdO, ZnO, and MgO from x-ray photoemission spectroscopy and quasi-particle-corrected density-functional theory calculations (2009) (110)
Quasiparticle bands and spectra of Ga 2 O 3 polymorphs (2016) (107)
Phase separation suppression in InGaN epitaxial layers due to biaxial strain (2002) (105)
Do we know the fundamental energy gap of InN (2002) (104)
Strong excitons in novel two-dimensional crystals: Silicane and germanane (2012) (104)
Shape of free and constrained group-IV crystallites: Influence of surface energies (2005) (103)
An efficient method for calculating quasiparticle energies in semiconductors (1992) (101)
Dynamics and polarization of group-III nitride lattices: A first-principles study (2000) (101)
Coulombic amino group-metal bonding: adsorption of adenine on Cu110. (2005) (101)
Optical absorption of water: coulomb effects versus hydrogen bonding. (2005) (99)
Ab‐initio theory of semiconductor band structures: New developments and progress (2009) (99)
Band structures and optical spectra of InN polymorphs: Influence of quasiparticle and excitonic effects (2005) (97)
Bulk excitonic effects in surface optical spectra. (2001) (97)
Stability and electronic structure of two-dimensional allotropes of group-IV materials (2015) (95)
Universality of electron accumulation at wurtzite c- and a-plane and zinc-blende InN surfaces (2007) (95)
Pressure dependence of the dielectric and lattice-dynamical properties of GaN and AlN (2000) (94)
Influence of exchange and correlation on structural and electronic properties of AlN, GaN, and InN polytypes (2011) (94)
EfficientO(N2)method to solve the Bethe-Salpeter equation (2003) (94)
High-precision determination of atomic positions in crystals: The case of 6 H - and 4 H -SiC (1998) (93)
Direct experimental determination of the spontaneous polarization of GaN (2012) (92)
Energy gap and optical properties of InxGa1–xN (2003) (92)
Determination of the branch-point energy of InN: Chemical trends in common-cation and common-anion semiconductors (2008) (91)
Raman spectra of isotopic GaN (1997) (89)
Extreme softening of Vanderbilt pseudopotentials: General rules and case studies of first-row and d-electron elements (2000) (83)
Ground‐ and excited‐state properties of DNA base molecules from plane‐wave calculations using ultrasoft pseudopotentials (2004) (80)
Optical properties of Ge and Si nanocrystallites from ab initio calculations. II. Hydrogenated nanocrystallites (2002) (80)
REFLECTANCE ANISOTROPY OF GAAS(100) : THEORY AND EXPERIMENT (1998) (80)
Alkali adsorption on GaAs(110): atomic structure, electronic states and surface dipoles (1993) (79)
Adsorption of group-V elements on III–V (1 1 0) surfaces (1996) (78)
Crystalline and magnetic anisotropy of the 3d-transition metal monoxides MnO, FeO, CoO, and NiO (2012) (78)
MBE growth and properties of SiC multi-quantum well structures (2001) (77)
Semiconductor surfaces and interfaces: Their atomic and electronic structures (1988) (76)
Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum of InP ( 001 ) ( 2 × 4 ) (2000) (74)
Efficient O(N 2 ) approach to solve the Bethe-Salpeter equation for excitonic bound states (2008) (74)
Dielectric tensor of monoclinic Ga2O3 single crystals in the spectral range 0.5–8.5 eV (2015) (74)
Raman Frequencies and Angular Dispersion of Polar Modes in Aluminum Nitride and Gallium Nitride (1996) (74)
Surface influence on stability and structure of hexagon-shaped III-V semiconductor nanorods (2007) (66)
STACKING FAULTS IN GROUP-IV CRYSTALS : AN AB INITIO STUDY (1998) (66)
Observation of quantized subband states and evidence for surface electron accumulation in CdO from angle-resolved photoemission spectroscopy (2008) (65)
Band Structure of ZnO from Resonant X-ray Emission Spectroscopy (2008) (64)
Surface phase diagram of (24) and (42) reconstructions of GaAs(001) (2000) (63)
COMPENSATION OF DYNAMICAL QUASIPARTICLE AND VERTEX CORRECTIONS IN OPTICAL SPECTRA (1997) (63)
Lattice parameter and energy band gap of cubic AlxGayIn1−x−yN quaternary alloys (2003) (63)
Atomic structure of InP(001)-(2×4): A dimer reconstruction (1998) (62)
Charge transport in organic crystals: interplay of band transport, hopping and electron–phonon scattering (2010) (62)
Raman studies on phonon modes in cubic AlGaN alloy (1999) (62)
Ab initiotheory of excitons and optical properties for spin-polarized systems: Application to antiferromagnetic MnO (2008) (61)
Coincidence Lattices of 2D Crystals: Heterostructure Predictions and Applications (2016) (60)
Si-rich SiC(111)/(0001)3×3 and 3×3 surfaces: A Mott-Hubbard picture (1998) (59)
Anisotropy of the dielectric function for wurtzite InN (2004) (59)
Interpretation of XPS core level shifts and structure of thin silicon oxide layers (1985) (59)
Origin of Dirac-cone-like features in silicon structures on Ag(111) and Ag(110) (2013) (58)
Validity of effective-medium theory for optical properties of embedded nanocrystallites from ab initio supercell calculations (2003) (58)
Nonmetallic substrates for growth of silicene: an ab initio prediction (2014) (57)
Ab initio calculation of structural, lattice dynamical, and thermal properties of cubic silicon carbide (1995) (56)
Theoretical study of the chemical gap tuning in silicon nanowires (2007) (56)
Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction (2006) (55)
Energetic stability and magnetic properties of MnO in the rocksalt, wurtzite, and zinc-blende structures: Influence of exchange and correlation (2010) (55)
Influence of out-of-plane response on optical properties of two-dimensional materials: First principles approach (2016) (54)
InP(001)-(2 x 1) surface: a hydrogen stabilized structure. (2003) (54)
Beyond the GW approximation: Combining correlation channels (2012) (54)
Electronic and optical properties of MgxZn1−xO and CdxZn1−xO from ab initio calculations (2011) (54)
Structure- and spin-dependent excitation energies and lifetimes of Si and Ge nanocrystals from ab initio calculations (2004) (53)
Band‐structure and optical‐transition parameters of wurtzite MgO, ZnO, and CdO from quasiparticle calculations (2009) (53)
Spin state of vacancies: From magnetic Jahn-Teller distortions to multiplets (2000) (53)
Terrace and step contributions to the optical anisotropy of Si(001) surfaces (2001) (52)
Gap bowing and Stokes shift in InxGa1−xN alloys: First-principles studies (2002) (52)
Silicene-derived phases on Ag(111) substrate versus coverage: Ab initio studies (2014) (51)
Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics (2005) (51)
Optical absorption in degenerately doped semiconductors: Mott transition or Mahan excitons? (2011) (51)
Band discontinuities at Si-TCO interfaces from quasiparticle calculations: Comparison of two alignment approaches (2012) (51)
Tuning Electronic Properties and Band Alignments of Phosphorene Combined With MoSe2 and WSe2 (2017) (51)
Effect of backbond oxidation on silicon nanocrystallites (2004) (51)
Valence-band structure of InN from x-ray photoemission spectroscopy (2005) (51)
Long-range surface reconstruction: Si(110)-(16 x 2). (2004) (50)
Geometry and electronic structure of InP(001)(2×4) reconstructions (1998) (50)
Tunable electronic properties of two-dimensional nitrides for light harvesting heterostructures (2017) (50)
GaAs(001): Surface Structure and Optical Properties (2001) (50)
Second-harmonic polarizability including electron-hole attraction from band-structure theory (2005) (50)
Origin of the different reconstructions of diamond, Si, and Ge(111) surfaces. (2001) (50)
Optical spectra of Si nanocrystallites: Bethe-Salpeter approach versus time-dependent density-functional theory (2008) (49)
Influence of SiO2 matrix on electronic and optical properties of Si nanocrystals (2009) (49)
Optical and energy-loss spectra of the antiferromagnetic transition metal oxides MnO, FeO, CoO, and NiO including quasiparticle and excitonic effects (2012) (49)
Strain influence on valence-band ordering and excitons in ZnO: An ab initio study (2007) (47)
Structural properties of PbTe/CdTe interfaces from first principles (2006) (47)
Structural relaxation in Si and Ge nanocrystallites: Influence on the electronic and optical properties (2003) (46)
Bond-rotation versus bond-contraction relaxation of (110) surfaces of group-III nitrides (1998) (46)
DFT studies using supercells and projector‐augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine (2007) (45)
Optical functions of semiconductors beyond density-functional theory and random-phase approximation (1997) (45)
Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl (2005) (44)
Band lineup between silicon and transparent conducting oxides (2010) (44)
Wurtzite silicon as a potential absorber in photovoltaics: Tailoring the optical absorption by applying strain (2015) (44)
Energetics of Si(001) surfaces exposed to electric fields and charge injection. (2004) (43)
P-rich GaP ( 001 ) ( 2 × 1 ) / ( 2 × 2 ) surface: A hydrogen-adsorbate structure determined from first-principles calculations (2003) (43)
GaP(001) and InP(001): Reflectance anisotropy and surface geometry (1999) (43)
Electronic and optical properties of topological semimetal Cd3As2 (2017) (42)
Single cysteine adsorption on Au(110): A first-principles study (2010) (42)
Ab initio description of heterostructural alloys: Thermodynamic and structural properties of Mg x Zn 1 − x O and Cd x Zn 1 − x O (2010) (42)
Vibrational spectra of ammonia, benzene, and benzene adsorbed on Si(001) by first principles calculations with periodic boundary conditions (2006) (42)
Structural elements on reconstructed Si and Ge(110) surfaces (2004) (42)
Dipole analysis of the dielectric function of color dispersive materials: Application to monoclinic Ga 2 O 3 (2016) (42)
Polytypism of GaAs, InP, InAs, and InSb: An ab initio study (2011) (42)
Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites (2007) (42)
Structural, electrical, and optical properties of hydrogen-doped ZnO films (2012) (42)
GW self-energy calculations for systems with huge supercells (2002) (42)
Electronic structure of In2O3 from resonant x-ray emission spectroscopy (2009) (41)
Influence of edge and field effects on topological states of germanene nanoribbons from self-consistent calculations (2014) (41)
Optical and loss spectra of SiC polytypes from ab initio calculations (1997) (41)
Spinodal decomposition in BxGa1−xN and BxAl1−xN alloys (2002) (41)
Influence of structure and thermodynamic stability on electronic properties of two-dimensional SiC, SiGe, and GeC alloys (2015) (41)
Interplay of excitonic effects and van Hove singularities in optical spectra: CaO and AlN polymorphs (2011) (41)
Quasiparticle corrections for energy gaps in semiconductors (1992) (40)
Second-harmonic generation in silicon carbide polytypes (1999) (40)
Hexagon versus trimer formation in in nanowires on Si(111): energetics and quantum conductance. (2007) (39)
Cubic inclusions in hexagonal AlN, GaN, and InN: Electronic states (2011) (39)
Dielectric Screening, Polar Phonons, and Longitudinal Electronic Excitations of Quantum Well Double Heterostructures Application to Light Scattering from Charge Density Fluctuations† (1985) (38)
Relation between spontaneous polarization and crystal field from first principles (2013) (38)
Electronic Relaxation Effects in Core Level Spectra of Solids (1982) (38)
Low-field and high-field electron transport in zinc blende InN (2009) (38)
Efficiency limits of Si/SiO2 quantum well solar cells from first-principles calculations (2009) (38)
Substitutional carbon in group-III nitrides: Ab initio description of shallow and deep levels (2002) (37)
Theory of photoluminescence in semiconductors (2000) (37)
A new method for determining relaxation energies by means of aes and xps and its application to silicon compounds (1983) (37)
Electronic excitations of glycine, alanine, and cysteine conformers from first-principles calculations. (2007) (36)
Side-dependent electron escape from graphene- and graphane-like SiC layers (2012) (36)
Structure of si(111)-in nanowires determined from the midinfrared optical response. (2009) (36)
Trends on band alignments: Validity of Anderson's rule in SnS2- and SnSe2-based van der Waals heterostructures (2018) (36)
Quantum confinement in Si- and Ge-capped nanocrystallites (2005) (36)
On the nature of the D1-defect center in SiC: A photoluminescence study of layers grown by solid-source molecular-beam epitaxy (2001) (35)
Inverse dielectric function for a semi‐infinite solid (1983) (35)
Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations (2013) (35)
Validity of Weyl fermion picture for transition metals monopnictides TaAs, TaP, NbAs, and NbP from ab initio studies (2018) (34)
Valence band density of states of zinc-blende and wurtzite InN from x-ray photoemission spectroscopy and first-principles calculations (2008) (34)
Optical Properties of Strained Wurtzite Gallium Phosphide Nanowires (2016) (34)
Guanine crystals: a first principles study. (2008) (34)
Optical study of the band structure of wurtzite GaP nanowires (2016) (33)
Polytypism in ZnS, ZnSe, and ZnTe: First-principles study (2014) (33)
Characteristic energies and shifts in optical spectra of colloidal IV-VI semiconductor nanocrystals. (2009) (33)
Phase separation and gap bowing in zinc-blende InGaN, InAlN, BGaN, and BAlN alloy layers (2002) (33)
Quasiparticle band structures and optical spectra of β -cristobalite SiO 2 (2004) (33)
Structural fingerprints in the reflectance anisotropy spectra of InP(001)(2×4) surfaces (1999) (33)
Deposition of topological silicene, germanene and stanene on graphene-covered SiC substrates (2017) (32)
Electronic properties of polar and nonpolar InN surfaces: A quasiparticle picture (2011) (32)
Electronic structure of single-crystal rocksalt CdO studied by soft x-ray spectroscopies and ab initio calculations (2008) (31)
Interaction of Wannier-Stark ladders and electrical breakdown in superlattices (1999) (30)
Ab initio description of quasiparticle band structures and optical near-edge absorption of transparent conducting oxides (2012) (30)
Charge transport in guanine-based materials. (2009) (30)
Optical properties of Si and Ge nanocrystals: Parameter‐free calculations (2005) (30)
Optical absorption spectra of doped and codoped Si nanocrystallites (2008) (30)
Relationship of Microscopic and Macroscopic Theories for Long‐Wavelength Optical Phonons in GaAs‐AlAs Superlattices (1989) (30)
Clarification of the GaP(001)(2x4) Ga-rich reconstruction by scanning tunneling microscopy and ab initio theory (2000) (29)
Phase diagram, chemical bonds, and gap bowing of cubic InxAl1−xN alloys: Ab initio calculations (2002) (29)
Neutral Vacancies in Group-IV Semiconductors (1998) (29)
LATTICE DYNAMICS OF GAN : EFFECTS OF 3D ELECTRONS (1997) (29)
Silicene on hydrogen‐passivated Si(111) and Ge(111) substrates (2013) (28)
Excitation energies and radiative lifetimes of Ge1-xSix nanocrystals: alloying versus confinement effects. (2003) (28)
Tunneling of electrons between Si nanocrystals embedded in a SiO 2 matrix (2012) (28)
Near valence-band electronic properties of semiconducting β -Ga 2 O 3 (100) single crystals (2015) (28)
Excitons in T-shaped quantum wires (1997) (28)
The Bethe-Salpeter equation: a first-principles approach for calculating surface optical spectra (2004) (28)
Unexpected symmetry and AA stacking of bilayer silicene on Ag(111) (2014) (28)
Strain Modification of GaN in AlGaN/GaN Epitaxial Films (1999) (27)
Influence of composition fluctuations and strain on gap bowing inInxGa1−xN (2001) (27)
Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001) (2002) (27)
Valence-band splittings in cubic and hexagonal AlN, GaN, and InN (2010) (27)
State mixing for quasiparticles at surfaces: Nonperturbative GW approximation (1999) (27)
Silicene on metal and metallized surfaces: ab initio studies (2014) (27)
Magnetic properties of MnN: Influence of strain and crystal structure (2005) (27)
Chemisorption of pyrrole and polypyrrole on Si(001) (2002) (26)
Electronic and transport properties of graphene nanoribbons (2010) (26)
Understanding reflectance anisotropy: Surface-state signatures and bulk-related features (2000) (25)
Ab initio description and visualization of charge transport in durene crystals (2008) (25)
Ab initio calculation of the atomic and electronic structure for the clean 3C SiC(110) 1×1 surface (1994) (25)
Organic modification of surface electronic properties: A first-principles study of uracil on Si(001) (2004) (25)
Flexible 2D Crystals of Polycyclic Aromatics Stabilized by Static Distortion Waves (2016) (24)
Accurate electronic and optical properties of hexagonal germanium for optoelectronic applications (2018) (24)
Reduced influence of defects on oxidized Si nanocrystallites (2005) (24)
Native defects and complexes in SiC (2001) (24)
Optical properties of silicene, Si/Ag(111), and Si/Ag(110) (2018) (24)
Electronic structure of the C ( 111 ) surface: Solution by self-consistent many-body calculations (2005) (24)
Effects of strain on the valence band structure and exciton-polariton energies in ZnO (2013) (24)
Rebonding at coherent interfaces between rocksalt-PbTe/zinc-blende-CdTe (2006) (24)
Pressure‐ and Strain‐Dependent Quasiparticle Energies of Cubic, Wurtzite and Hexagonal BN (2000) (24)
Atomic nanowires on the Pt/Ge(001) surface: buried Pt-Ge versus top Pt-Pt chains. (2008) (24)
First-principles studies of Au-induced nanowires on Ge(001) (2010) (23)
Electron correlation effects on SiC(111) and SiC(0001) surfaces (2004) (23)
Energetics and approximate quasiparticle electronic structure of low-index surfaces of SnO2 (2012) (23)
Band alignment at a nonplanar Si/SiO2 interface (2010) (23)
Structural and Magnetic Properties of MnTe Phases from Ab Initio Calculations (2013) (22)
Electronic-structure calculations for polar lattice-structure-mismatched interfaces: PbTe/CdTe(100) (2007) (22)
Understanding the optical anisotropy of oxidized Si(001) surfaces (2005) (22)
Reconstruction of quasi-one-dimensional In ∕ Si ( 111 ) systems: Charge- and spin-density waves versus bonding (2006) (22)
GaN and InN conduction-band states studied by ellipsometry (2008) (22)
Structural and electronic properties of α-tin nanocrystals from first principles (2013) (22)
Total energy minimization for surfaces of covalent semiconductors C, Si, Ge, and α-Sn: I. (111)2×1 surfaces (1988) (22)
Si(001)上のピロール及びポリピロールの化学吸着 (2002) (22)
Quantum dots with coherent interfaces between rocksalt-PbTe and zincblende-CdTea) (2007) (22)
Metallic Properties of the Si(111) - 5 × 2 - Au Surface from Infrared Plasmon Polaritons and Ab Initio Theory. (2015) (22)
Electronic polarization (relaxation) effects in the core level spectra of semiconductors. I. General theory of electronic polarization (relaxation) in semiconductors (1979) (22)
Optical absorbance and band-gap engineering of (BN)(1-x)(C-2)(x) two-dimensional alloys: Phase separation and composition fluctuation effects (2017) (21)
Polytypic transformations in SiC: An ab initio study (1999) (21)
Strong in- and out-of-plane excitons in two-dimensional InN nanosheets (2018) (21)
Adatoms, dimers, and interstitials on group-IV(113) surfaces: First-principles studies of energetical, structural, and electronic properties (2003) (21)
Structure and energetics of Ga-rich GaAs(001) surfaces (2002) (21)
Influence of oxygen on optical properties of Si nanocrystallites (2005) (21)
Electronic and optical properties of group IV two‐dimensional materials (2010) (21)
Binding energies and chemical shifts of least bound core electron excitations in cubic ANB8-N semiconductors (1981) (20)
Model of the epitaxial growth of SiC-polytypes under surface-stabilized conditons (1998) (20)
Quantum-kinetic study of femtosecond pump-and-probe spectra of bulk GaAs (2000) (20)
Clean and pyrrole-functionalized Si-and C-terminated SiC surfaces : First-principles calculations of geometry and energetics compared with LEED and XPS (2006) (20)
Electronic band gap of Si/SiO2 quantum wells: Comparison of ab initio calculations and photoluminescence measurements (2007) (20)
Fast and accurate approximate quasiparticle band structure calculations of ZnO, CdO, and MgO polymorphs (2017) (20)
Ab initio studies of structural, vibrational, and electronic properties of durene crystals and molecules (2007) (20)
Excitons in two‐dimensional sheets with honeycomb symmetry (2015) (20)
RKKY interaction in semiconductors: Effects of magnetic field and screening (2004) (20)
Out-of-plane excitons in two-dimensional crystals (2019) (20)
AB INITIO SECOND-HARMONIC SUSCEPTIBILITIES OF SEMICONDUCTORS : GENERALIZEDTETRAHEDRON METHOD AND QUASIPARTICLE EFFECTS (1998) (20)
Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN (2005) (19)
First-principles study of thermal properties of 3C SiC (1996) (19)
Distribution of cations in wurtzitic InxGa1-xN and InxAl1-xN alloys: Consequences for energetics and quasiparticle electronic structures (2011) (19)
Ab-initio studies of electronic and spectroscopic properties of MgO, ZnO and CdO (2008) (19)
Self-organized atomic nanowires of noble metals on Ge(001): atomic structure and electronic properties (2009) (19)
Two‐Photon Resonance Raman Scattering by Excitons via an Intermediate Excitonic Molecule. I. Bare‐Exciton Approach (1977) (19)
Phenanthrenequinone adsorbed on Si(001): geometries, electronic properties, and optical response. (2005) (19)
Pseudodirect to Direct Compositional Crossover in Wurtzite GaP/InxGa1-xP Core-Shell Nanowires. (2016) (19)
Theory of inter‐valence‐band electronic raman scattering in cubic semiconductors without and with an external electric field (1975) (19)
Influence of spontaneous and piezoelectric polarizations on the phonon frequencies in strained GaN/AlN superlattices (2001) (19)
Atomic structures of GaAs(100)-(2 × 4) reconstructions (1996) (19)
Quantum-kinetic theory of hot luminescence from pulse-excited semiconductors. (2001) (19)
Uracil adsorbed on Si(001): Structure and energetics (2003) (19)
Initial stages of III-nitride growth (1999) (18)
Giant quasiparticle shifts of semiconductor surface states (1990) (18)
GaAs(0 0 1) surface reconstructions: geometries, chemical bonding and optical properties (2002) (18)
Optical spectra and microscopic structure of the oxidized Si(100) surface : Combined in situ optical experiments and first principles calculations (2009) (18)
Theory of interference between electronic and phonon Raman Scattering (1975) (18)
Lattice dynamics of BN and AlN (1996) (18)
Influence of the composition fluctuations and decomposition on the tunable direct gap and oscillator strength of Ge1-xSnx alloys (2016) (18)
QUASIPARTICLE ENERGIES IN CLUSTERS DETERMINED VIA TOTAL-ENERGY DIFFERENCES: APPLICATION TO C60 AND NA4 (1997) (18)
SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001) (1999) (18)
Ab initio theory of native defects in alloys: application to charged N vacancies in AlxGa1-xN (2002) (17)
Comment on "mie resonances, infrared emission, and the band gap of InN". (2004) (17)
Giant excitonic absorption and emission in two-dimensional group-III nitrides (2019) (17)
Coherent {001} interfaces between rocksalt and zinc-blende crystal structures (2009) (17)
Electronic and Phonon Deformation Potentials of GaN and AlN: Ab initio Calculations versus Experiment (2002) (17)
Dimerized, buckled, or ideal chains on the diamond (111)2 × 1 surface ? (1996) (17)
Topologicalα-Sn surface states versus film thickness and strain (2014) (17)
Antimony-stabilized GaAs(001)(2×4) reconstructions (1997) (17)
Intravacancy transition energies in 3C- and 4H-SiC (2000) (16)
Quantum spin Hall phase in stanene-derived overlayers on passivated SiC substrates (2016) (16)
Characteristics of small- and large-polaron motion in organic crystals (2010) (16)
Clustering of N impurities in ZnO (2012) (16)
Self-Consistent Tight-Binding Method for Total Energy Calculations of Tetrahedral Semiconductors Including Surfaces and Defects† (1985) (16)
Electronic structure of InN studied using soft x-ray emission, soft x-ray absorption, and quasiparticle band structure calculations (2007) (16)
Luminescence and absorption in germanium and silicon nanocrystals: The influence of compression, surface reconstruction, optical excitation, and spin-orbit splitting (2011) (16)
Anomalous angular dependence of the dynamic structure factor near Bragg reflections: graphite. (2008) (16)
Group-IV and group-V substitutional impurities in cubic group-III nitrides (2003) (16)
Towards Quantum Structures in SiC (2002) (16)
Statistical model applied to A x B y C 1-x-y D quaternary alloys: Bond lengths and energy gaps of Al x Ga y In 1-x-y X ( X=As , P, or N) systems (2006) (15)
Efficient O „ N 2 ... method to solve the Bethe-Salpeter equation (2003) (15)
Influence of crystal structure and quasiparticle effects on second-harmonic generation: Silicon carbide polytypes (2000) (15)
Exchange and Correlation (2015) (15)
Influence of screening dynamics on excitons in Ga2O3 polymorphs (2019) (15)
Self-assembly of adenine-dimer chains on Cu(1 1 0): Driving forces from first-principles calculations (2008) (15)
Optical response of pi-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study (2005) (15)
Beyond graphene: Clean, hydrogenated and halogenated silicene, germanene, stanene, and plumbene (2021) (15)
General theory of light scattering in solids (1979) (15)
EXCITED WANNIER-STARK STATES IN THE OPTICAL ABSORPTION OF A SUPERLATTICE IN AN ELECTRIC FIELD (1998) (15)
Field-induced delocalization and Zener breakdown in semiconductor superlattices. (1999) (15)
Topological states in α -Sn and HgTe quantum wells: A comparison of ab initio results (2015) (15)
Validity of the continuum approach to optical phonons in short-period superlattices (1990) (15)
Ab initio calculations of the reconstructed (100) surfaces of cubic silicon carbide (1996) (15)
(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures (2000) (15)
Half‐Heusler compounds with a 1 eV (1.7 eV) direct band gap, lattice‐matched to GaAs (Si), for solar cell application: A first‐principles study (2016) (15)
Quantum structures in SiC (2003) (15)
Long‐Wavelength Optical Phonons in GaAsAlAs Superlattices (1989) (15)
Quasi-Particle Bands for C(111) 2 × 1 Surfaces–Support for the Dimerized π-Bonded Chain Model (1994) (15)
Pressure-dependent dynamical and dielectric properties of cubic SiC (1996) (14)
Intrinsic spin Hall conductivity in one-, two-, and three-dimensional trivial and topological systems (2016) (14)
The Complete Set of Polar Optic Phonon Modes of Superlattices. Confined Bulk and Interface Modes (1988) (14)
Erratum: Tin dioxide from first principles: Quasiparticle electronic states and optical properties [Phys. Rev. B 83, 035116 (2011)] (2013) (14)
Pt-induced nanowires on Ge(001) : Ab initio study (2008) (14)
LATTICE DYNAMICS OF TERNARY ALLOYS (1999) (14)
Structural phase transition in SiOx (1987) (14)
Do WE UNDERSTAND THE STRUCTURE OF THE GALLIUM-RICH SURFACE of GaAs(001)? EXPERIMENTAL AND THEORETICAL APPROACHES (2002) (14)
Anion‐Related Differences in Phonons of (GaX)N(Ga1‐xAlxX)N(001) Superlattices (X=As,N) (1996) (14)
Electronic structure of type-I superlattices from tight-binding calculations (1986) (14)
Influence of the quantum confined Stark effect on photoluminescence spectra of PbTe nanodots embedded in a CdTe matrix (2009) (13)
Polytypism and surface structure of SiC (1997) (13)
Honeycomb silicon on alumina: Massless Dirac fermions in silicene on substrate (2019) (13)
Tight-binding calculations of quasiparticle wave functions for C(111)2X1 (2008) (13)
Calculation of surface optical properties: from qualitative understanding to quantitative predictions (2004) (13)
Carbon vacancy in SiC: A negative-U system (1998) (13)
Zener tunneling effect of excitons in shallow superlattices (2001) (13)
Electronic and Optical properties of cadmium fluoride: the role of many-body effects (2013) (13)
Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS (2006) (13)
Dielectric Function of “Narrow” Band Gap InN (2002) (13)
Thermodynamic, electronic, and optical properties of graphene oxide: A statistical ab initio approach (2017) (13)
Efficient Green Emission from Wurtzite AlxIn1–xP Nanowires (2018) (13)
Free carrier scattering from quasi-2D optical phonons in semiconductor quantum wells and superlattices (1988) (13)
Geometric, electronic, and optical properties of the Si(111)2 × 1 surface: Positive and negative buckling (2012) (13)
Mean free path of photoelectrons in silicon and silicon oxides (1981) (13)
Vibrational properties of GaSe: a layer dependent study from experiments to theory (2018) (13)
Forbidden Band‐Edge Excitons of Wurtzite‐GaP: A Theoretical View (2018) (13)
Methylchloride adsorbed on Si(0 0 1): an ab initio study (2004) (13)
Structural examination of Au/Ge(001) by surface x-ray diffraction and scanning tunneling microscopy (2012) (12)
Ab initioinvestigation of graphene-based one-dimensional superlattices and their interfaces (2012) (12)
Tetramers on diamond, Si, and Ge(113) surfaces: Ab initio studies (2003) (12)
Screening models and simplified GW approaches: Si & GaN as test cases (1995) (12)
Ab initiocalculation of optical properties with excitonic effects in wurtzite InxGa1−xN and InxAl1−xN alloys (2013) (12)
Properties of interfaces between cubic and hexagonal polytypes of silicon carbide (2002) (12)
Corrigendum: Optical absorption and emission of α-Sn nanocrystals from first principles (2013) (12)
Mn and Fe doping of bulk Si: Concentration influence on electronic and magnetic properties (2009) (12)
Interface with organic molecules: Cysteine on Au(110) (2010) (12)
Enhanced Optical Absorption Due to Symmetry Breaking in TiO2(1–x)S2x Alloys (2012) (12)
Methyl Chloride Adsorption on Si(001)-Electronic Structure (2004) (12)
Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction (2019) (12)
Quasiparticle effect on electron confinement in Si∕SiO2 quantum-well structures (2007) (12)
Magnetic properties of GaN/Mn x Ga 1-x N digital heterostructures: First-principles and Monte Carlo calculations (2006) (12)
Phase separation, gap bowing, and structural properties of cubic InxAl1-xN (2002) (12)
Magnetic interaction in pairwise Mn-doped Si nanocrystals (2010) (11)
Excitonic insulator through coherent pulse excitation (2001) (11)
Influence of on-site Coulomb interaction U on properties of MnO(001)2 × 1 and NiO(001)2 × 1 surfaces (2013) (11)
Metal-to-Insulator Transition in Au Chains on Si(111)-5×2-Au by Band Filling: Infrared Plasmonic Signal and Ab Initio Band Structure Calculation. (2015) (11)
Amorphous Ge quantum dots embedded in crystalline Si: ab initio results (2015) (11)
Electronic polarization (relaxation) effects in the core level spectra of semiconductors II. Application to Ga3d and Si2p levels (1979) (11)
Theory of Core Excitons in Semiconductors (1980) (11)
Layer-by-layer analysis of surface reflectance anisotropy in semiconductors (2003) (11)
Spectral properties of InN and its native oxide from first principles (2010) (11)
Theory of Resonance Raman Scattering near Critical Points (1976) (11)
3d core-level shifts at SeGaAs(110) (1996) (11)
Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy: ab initio predictions (2004) (11)
First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces (2000) (11)
Transverse Acoustic Phonons of Germanium up to 9.7 GPa by Neutron Inelastic Scattering (1996) (11)
Electronic Relaxation Effects in Core Level Spectra of Surfaces and Interfaces (1983) (11)
Band gap and effective electron mass of cubic InN (2008) (10)
Topological transition and edge states in HgTe quantum wells from first principles (2014) (10)
Theoretical Aspects of the Optical Response of Semiconductor Surfaces (1999) (10)
First‐Principles Calculation of Optical Properties: Application to Embedded Ge and Si Dots (2001) (10)
Magnetic anisotropy of FeO and CoO: the influence of gradient corrections on exchange and correlation (2013) (10)
Vibrational properties of the quasi-one-dimensional In/Si(111)-(4×1) system (2003) (10)
Strain Effects on the Band Structure of Si/Si1-xGex (001) Superlattices (1989) (10)
Stability, reconstruction, and surface electronic states of group-III atoms on SiC(111) (2001) (10)
Ab initio characterization of transition-metal-doped Si nanocrystals (2009) (10)
AB INITIO CALCULATION OF THE REFLECTANCE ANISOTROPY OF SURFACES : THE TRIANGLE METHOD (1998) (10)
First-principles study of InP and GaP(0 0 1) surfaces (2001) (10)
Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure (1996) (10)
Electronic and vibrational properties of group-III nitrides: Ab initio studies (2003) (10)
Charge qubit in van der Waals heterostructures (2019) (10)
Carbon-based defects in GaN: Doping behaviour (2002) (10)
EXCITONIC EFFECTS IN LINEAR AND NONLINEAR OPTICAL PROPERTIES OF C60 (1999) (10)
The Effect of Many-Electron Correlation on Photothresholds of Semiconductors and Valence Band Discontinuities at Heterojunctions (1984) (9)
Spin-dependent properties and images of MnO, FeO, CoO, and NiO(001) surfaces (2015) (9)
Theory of the excitonic lineshape in low-dimensional structures with rough interfaces (1994) (9)
Band structure and electron gas of in chains on Si(1 1 1) (2005) (9)
Ab initio study of structural and electronic properties of planar defects in Si and SiC (2004) (9)
Oscillator strengths and excitation energies of Ge and Si nanocrystals from ab initio supercell calculations (2003) (9)
Structural and electronic properties of PbTe (rocksalt)/CdTe (zinc-blende) interfaces (2007) (9)
Effective density of states and carrier masses for Si/SiO2 superlattices from first principles (2010) (8)
Highly luminescent nanocrystal quantum dots fabricated by lattice-type mismatched epitaxy (2006) (8)
Nonequilibrium theory of photoluminescence excitation spectroscopy in semiconductors (2003) (8)
Electronic and optical properties of Mg x Zn 1 x O and Cd x Zn 1 x O from ab initio calculations (2011) (8)
Ferroelectric phase transition in multiferroic Ge1-x Mn x Te driven by local lattice distortions. (2016) (8)
Geometry and electronic band structure of surfaces: the case of Ge(111):Sn and C(111) (2006) (8)
Initial stage of Si(001) surface oxidation from first-principles calculations. (2005) (8)
Efficient strain-induced light emission in lonsdaleite germanium (2020) (8)
Many-body effects on one-electron energies and wave functions in low-dimensional systems (2001) (8)
Structure and Energetics of P‐rich GaP(001) Surfaces (2001) (8)
Calculation of optical properties and density of states for systems with huge unit cells (2001) (8)
Quantum transport through nanowires: Ab initio studies using plane waves and supercells (2008) (8)
Bandgap of hexagonal InN and InGaN alloys (2002) (8)
Surface Energies and Surface Dipoles at III-Nitride(111) Surfaces in Dependence on Stoichiometry (1999) (8)
All-optical determination of initial oxidation of Si(100) and its kinetics (2008) (7)
Metal–insulator transition in Si(111)‐(4 × 1)/(8 × 2)‐In studied by optical spectroscopy (2010) (7)
Atomic configurations of Au-induced nanowires on Ge(001) stabilized by higher Au coverages (2016) (7)
AS ON INP(110) STUDIED WITHIN DENSITY-FUNCTIONAL THEORY (1997) (7)
Quasi-particle band structure of C(111)2 × 1 and C(100)2 × 1 surfaces (1995) (7)
Ab initio characterization of the electronic properties of PbTe quantum dots embedded in a CdTe matrix (2010) (7)
Chemisorption of pyrrole (C4H4NH) on Si(0 0 1) calculated from first-principles (2003) (7)
Inverse dielectric function of a superlattice including local field effects and spatial dispersion (1986) (7)
Electron-LO-Phonon Interaction near Interfaces. Application to Scattering of Inversion Layer Electrons on SiO2Si Interfaces (1985) (7)
Coincidence Lattices and Interlayer Twist in van der Waals Heterostructures: Application of the Coincidence Lattice Method on $$\hbox {hBN/MoSe}_2$$hBN/MoSe2 Heterobilayer Systems (2017) (7)
Magnetic exchange force microscopy from first principles: application to the antiferromagnetic NiO(001) surface (2014) (7)
Structure and Quasiparticle Energies of Cubic, Wurtzite and Hexagonal BN (1995) (7)
Theoretical optical spectroscopy of complex systems (2013) (7)
Stoichiometry and surface reconstructions of (001) surfaces of silicon carbide (1996) (7)
Quantum conductance of In nanowires on Si(111) from first principles calculations (2007) (7)
Vacancy-induced 2 × 2 reconstruction of the Si-terminated 3C SiC(111) surface: ab initio calculations of the atomic and electronic structure (1995) (7)
Anomalous weak bonding of Si dimers on the SiC(001) surface (1997) (7)
Real-structure effects: Absorption edge of MgxZn1-xO, CdxZn1-xO, and n-type ZnO from ab-initio calculations (2012) (7)
Thermal properties of (GaAs)N(Ga1−xAlxAs)N(001) superlattices (1996) (7)
Towards a Complete Many-Body Description: Optical Response of Real Surfaces (2001) (7)
Selective adsorption of toluene-3,4-dithiol on Si(553)-Au surfaces (2018) (7)
Influence of Strong Electron Correlation on Magnetism in Transition-Metal Doped Si Nanocrystals. (2010) (6)
Confined acoustic and propagating optical phonons in GaN/Ga1-xAlxN superlattices (1994) (6)
Ab initio optical and energy loss spectra of transition metal monopnictides TaAs, TaP, NbAs, and NbP (2018) (6)
Pressure dependence of dynamical and dielectric properties of 3C and 4H silicon carbide (1996) (6)
First-principles calculations of energetics and electronic structure for reconstructed Si (111)-(5×n)-Au surfaces (2014) (6)
High-precision determination of atomic positions in 4H– and 6H–SiC crystals (1999) (6)
Electronic structure of In 2 O 3 from resonant x-ray emission spectroscopy (2009) (6)
Interplay of shape, interface structure, and electrostatic fields of ionic nanodots embedded in a polar semiconductor matrix (2008) (6)
Electronic Properties of SiC Polytypes and Heterostructures (1997) (6)
Interplay of Surface Structure, Bond Stacking and Heteropolytypic Growth of SiC (2001) (6)
Giant quasi-particle shifts of semiconductor surface states (1989) (6)
Quantization and topological states in the spin Hall conductivity of low-dimensional systems: An ab initio study (2016) (6)
Electronic excitations stabilized by a degenerate electron gas in semiconductors (2016) (6)
Large bandwidths in synthetic one-dimensional stacks of biological molecules (2012) (6)
Zero- and Two-Dimensional Native Defects (2004) (6)
Adatoms and vacancies on the diamond(111) surface (1996) (6)
Quasi‐Two‐Dimensional Screening of the Electron‐Hole Interaction in Modulation‐Doped Quantum Wells (1990) (6)
Influence of anisotropy, tilt and pairing of Weyl nodes: the Weyl semimetals TaAs, TaP, NbAs and NbP (2019) (6)
Theory of resonance Raman scattering in disordered solids (1977) (6)
The electron-optical phonon interaction in semiconductor microstructures (1992) (6)
Theory of reflectance anisotropy of clean and hydrogenated (001) diamond surfaces (1997) (6)
Giant Optical Oscillator Strengths in Perturbed Hexagonal Germanium (2021) (5)
Zener tunneling in superlattices in a magnetic field (2002) (5)
Theoretical prediction of ferromagnetic MnN layers embedded in wurtzite GaN (2006) (5)
Quantum spin Hall effect in α − Sn / CdTe ( 001 ) quantum-well structures (2016) (5)
Binding energies of charged impurity centres in narrow gap materials with large lattice polarizability (1982) (5)
Temperature dependence of atomic core levels in solids I. Separation of the temperature dependence of conduction‐band and core‐exciton energies (1979) (5)
Optical Excitation and Bose Condensation of Excitons in Low-Dimensional Systems (1992) (5)
Reply to “Comment on ‘Band Gap of InN and In-Rich InxGa1–xN Alloys (0.36 < x < 1)’” (2002) (5)
Nonequilibrium photoluminescence excitation spectroscopy in GaAs: Bottleneck and memory effects (2003) (5)
Electronic properties of durene crystals: Implications for charge transport (2008) (5)
Ab initio calculation of optical absorption and reflectivity of Si(0 0 1)/SiO2 superlattices with varying interfaces (2008) (5)
Heterocrystaline SiC: ab inito calculations for superlattices of combinations of cubic and hexagonal SiC (1996) (4)
AB initio calculation of the atomic and electronic structure for Sb adsorbed on GaAs(110) (1993) (4)
Coverage-dependent geometries of nanowires on Ge(0 0 1)-Au surfaces: modification of trenches (2016) (4)
Heterocrystalline SiC: ab initio calculations for the interface structure of combinations of cubic and hexagonal SiC (1996) (4)
Optical Properties of Silicene and Related Materials from First Principles (2018) (4)
Many body effects in the electronic and optical properties of the (111) surface of diamond (2007) (4)
Coverage-dependent bonding of Sb on GaAs (110) (1994) (4)
Monovacancies in 3C and 4H SiC (1999) (4)
Screening and band structure effects on quasi-one-dimensional transport in periodically modulated graphene (2011) (4)
Resonance Raman scattering in a strong electric field (1976) (4)
Theory of InN Bulk Band Structure (2009) (4)
The coherent {100} and {110} interfaces between rocksalt-PbTe and zincblende-CdTe (2007) (4)
Electronic elementary excitation in the far UV‐spectral region core level exciton and core hole polarization (1978) (4)
First‐principles study of phonon‐mode softening under pressure: the case of GaN and AlN (2003) (4)
Ab initio calculation of linear and nonlinear optical properties of semiconductor structures (1999) (4)
Defect induced modification of the surface gap and optical properties of C(111)2 × 1 surface (2012) (4)
Energetics and Structure of Ordered Sb Overlayers and Sb Clusters on GaAs(110) Probed by ab initio Calculations (1994) (4)
Influence of separation of Si nanocrystals embedded in a SiO2 matrix on electronic and optical properties (2012) (4)
Interface Plasmon Modes as Collective Electronic Excitations of Semiconductor Superlattices (1986) (4)
Group III-nitrides and their heterostructures : growth, characterization and applications (2003) (4)
STRAIN INFLUENCE ON III-NITRIDES : AB INITIO STUDIES OF STRUCTURAL, LATTICE-DYNAMICAL, AND DIELECTRIC PROPERTIES (1999) (4)
Confined Excitons in T‐Shaped Quantum Wires (1997) (4)
Density of states of a two-dimensional electron gas in a perpendicular magnetic field and a random field of arbitrary correlation (2003) (4)
Hartree-Fock Approximation (2015) (4)
Chemically Tunable Properties of Graphene Covered Simultaneously with Hydroxyl and Epoxy Groups (2017) (4)
One- and two-particle effects in the electronic and optical spectra of barium fluoride (2014) (3)
The Jahn-Teller Effect and the Structure of Monovacancies in Si, SiC and C (1997) (3)
Chemisorption of arsenic on InP(110) (1997) (3)
Electronic and Optical Properties of Small Metal Fluoride Clusters (2020) (3)
Green's Function Approach to Photoluminescence in Semiconductors (2000) (3)
The optical absorption of quantum-well wires (1997) (3)
Nonparabolicity and excitons in optical absorption of InN (2006) (3)
Spontaneous symmetry breaking and electronic and dielectric properties in commensurate La 7 /4 Sr 1 /4 CuO 4 and La 5 /3 Sr 1 /3 NiO 4 (2018) (3)
Pressure-Dependent Dynamical and Dielectric Properties of GaN and AlN (1997) (3)
Properties of strained and unstrained III-nitrides (1999) (3)
Finite-size modelling of electrodes for quantum transport calculations using k-space ab initio techniques (2010) (3)
Model for inverse dielectric matrices of semiconductors (1994) (3)
THE TRIANGLE METHOD: REFLECTANCE ANISOTROPY OF AS-COVERED INP(110) SURFACES (1998) (3)
Optical Signatures of Dirac Electrodynamics for hBN-Passivated Silicene on Au(111) (2021) (3)
Correlation beyond the random phase approximation: A consistent many-body perturbation theory approach (2018) (3)
In-induced (4 × 2) reconstructions of GaAs(001) surfaces (1998) (3)
Quasiparticle corrections for diamond and diamond surfaces (1993) (3)
Se / GaAs ( 110)" energetics and structure (1995) (3)
Se-induced 3d core-level shifts of GaAs(110) (1996) (3)
Theory of allowed resonance Raman scattering of first and second order in a magnetic field (1977) (3)
Magnetic exchange forces and d-state filling: Antiferromagnetic MnO(001) and NiO(001) surfaces (2013) (3)
Phonons at III-V (110) surfaces (1996) (3)
Electric Field Effect on Multiphonon Transitions at Deep Centres (1985) (3)
Electronic excitations in Si and Ge nanocrystals: Parameterfree calculations (2004) (3)
Dielectric and lattice-dynamical properties of III-nitrides (1999) (3)
PARAMETERFREE CALCULATIONS OF OPTICAL PROPERTIES FOR SYSTEMS WITH MAGNETIC ORDERING OR THREE-DIMENSIONAL CONFINEMENT (2008) (3)
Ab-initio study of Mg-doped InN(0001) surface (2013) (3)
Born-Oppenheimer Approximation (2015) (2)
Surface Properties of Transparent Conducting Oxides from First Principles: In2O3, SnO2, and ZnO (2012) (2)
From pseudo-direct hexagonal germanium to direct silicon-germanium alloys (2021) (2)
Theory of Si-Rich SiC Surfaces: Consequences for Epitaxial Growth (1997) (2)
Semiconductor Surfaces and Interfaces (1988) (2)
Si(0 0 1) surface optical anisotropies induced by π-conjugated overlayers and oxidation (2006) (2)
Comparison of As-rich and Sb-terminated GaAs(100)(2 × 4) reconstructions (1997) (2)
Diamond (111) and (100) surface reconstructions (1996) (2)
Center-of-mass and internal motion of excitons in quantum wires (1992) (2)
QUANTUM BEATS IN SEMICONDUCTORS (2007) (2)
Temperature dependence of atomic core levels in solids II. Chemical shift and relaxation energy of core levels and their dependence on temperature (1979) (2)
Cover Picture: Silicene on hydrogen‐passivated Si(111) and Ge(111) substrates (Phys. Status Solidi RRL 8/2013) (2013) (2)
Coincidence Lattices and Interlayer Twist in van der Waals Heterostructures: Application of the Coincidence Lattice Method on hBN/MoSe2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepack (2016) (2)
Adsorption of Cysteine on the Au(110)-surface: A Density Functional Theory Study (2010) (2)
Influence of mass defect disorder on resonance Raman scattering (1978) (2)
Excitonic effects in absorption and emission of 2D group-III nitrides (2019) (2)
Si(111)2 × 1 surface isomers: DFT investigations on stability and doping effects (2014) (2)
Gas-Phase Epitaxy Grown InP(001) Surfaces From Real-Space Finite-Difference Calculations (2003) (2)
Theory of Resonant Raman Scattering in a Strong Electric Field (1974) (2)
Direct-bandgap emission from hexagonal Ge and SiGe alloys (2020) (2)
Influence of bulk branch dispersion on optical phonons and their coupling to electrons in superlattices (1991) (2)
Organic Molecule Adsorption on Solid Surfaces: Chemical Bonding, Mutual Polarization and Dispersion Interaction (2007) (2)
Charge Transport through Guanine Crystals (2009) (2)
Electron-Hole Problem (2015) (1)
Cysteine on Gold: An ab-initio Investigation (2011) (1)
Spontaneous emission from semiconductors after ultrafast pulse exitation: theory and simulation (2004) (1)
Adsorption of group III atoms on SiC(111) surfaces (2000) (1)
Theoretical study of As overlayers on InP(110) surface: optical properties (1998) (1)
Front Cover: Charge transport in organic crystals: Theory and modelling (Phys. Status Solidi B 3/2011) (2011) (1)
Silicon Surfaces Functionalized with Organic Molecules : Uracil Adsorption as a Prototypical Example (2003) (1)
Ab initio Simulations of PbTe-CdTe Nanostructures (2008) (1)
Surface effects on core electron binding energies of semiconductors (1983) (1)
Methylchloride Adsorption on Si(001) — Electronic Properties (2005) (1)
Optical transitions at deep impurity centres in an electric field (1981) (1)
Defining and Analysing the Optical Properties of Materials at the Nanoscale: A Collection of Thoughts, Opinions, Ideas and Data that Have Matured Over Years on Exploiting Ellipsometry for a Range of Characterisation Needs (2010) (1)
Critical Temperature for the Conversion from Wurtzite to Zincblende of the Optical Emission of InAs Nanowires (2017) (1)
Terrace and step contributions to the surface optical anisotropy of Si(001) (2001) (1)
Electronic structure of strained layer SiGexSi1−x superlattices from tight binding theory (1988) (1)
Non-local Exchange and Correlation (2015) (1)
Excitons in quantum disks and disk arrays (1993) (1)
Angle-Resolved Photoemission Study of the β-SiC(100)-(2x1)-Surface (1997) (1)
Calculation of Nonlinear Optical Susceptibilities for Different Polytypes of Silicon Carbide (1997) (1)
Lattice vibrations and electronic properties of GaSe nanosheets from first principles (2019) (1)
DYNAMIC THEORY OF EXCITONIC HYPER-RAMAN GAIN (1998) (1)
Beyond Static Screening (2015) (1)
Quasiparticle Electronic Structures (2015) (1)
Excitonic and Local-Field Effects in Optical Spectra from Real-Space Time-Domain Calculations (2003) (1)
Quantum-Kinetic Theory of Excitonic Hyper-Raman Gain (2000) (1)
GW Calculations Starting from Generalized Kohn-Sham Schemes (2007) (1)
Nonlinear transport in superlattices: Bloch oscillations and Zener breakdown (2001) (1)
Organic-Metal Interface: Adsorption of Cysteine on Au(110) from First Principles (2010) (1)
Influence of structural relaxation on the optical and electronic properties of embedded Ge nanocrystals (2004) (1)
$Ab \ initio$ optical and energy loss spectra of Weyl semimetals TaAs, TaP, NbAs and NbP (2018) (1)
An Analytical Model for Screened Coulomb Interaction in a C60 Cluster (1995) (1)
Optical phonon effect in quasi-one-dimensional semiconductor quantum wires: Band-gap renormalization (1996) (1)
Analytical Expressions for XC Self‐Energies and Quasiparticle Shifts in Free‐Electron‐Like Materials (1993) (1)
Theory of Second‐Order Resonance Raman Scattering in the Case of Strong Excitonic Effects (1978) (1)
Electron–Phonon Quantum Kinetics for Pump‐and‐Probe Signals in Bulk GaAs (2000) (1)
Prediction of Optical Properties of Si and Ge Dots in SiC (2001) (1)
Optical Response of Semiconductor Surfaces and Molecules Calculated from First Principles (2003) (1)
Reply to “Comment on ‘Band structures and optical spectra of InN polymorphs: Influence of quasiparticle and excitonic effects’ ” (2007) (1)
Non-equilibrium screening and plasmons in a coherently pumped semiconductor (1991) (1)
GaAs and InAs (001) Surface Structures from Large-scale Real-space Multigrid Calculations (2002) (1)
DFT-1/2 method applied to 2D topological insulators: fluorinated and hydrogenated group-IV honeycomb systems (2021) (1)
Femtosecond Dynamics of Luminescence in Optically Excited Semiconductors: Theory and Simulation (2002) (1)
In4d and Ga3d levels in InxX1−xN (X = Ga, Al) alloys (2013) (1)
Band Offsets Engineering for van der Waals Heterostructure Devices (2017) (0)
Atomic Structure of GaP(00l) and InP(00l) Reconstructions: Scanning Tunneling Microscopy and ab initio Theory (2001) (0)
An ab initio Study of Native Defects in Cubic SiC: Vacancies and Stacking Faults (1997) (0)
Evidence for quantization and topological states in spin Hall conductivity of low-dimensional systems (2016) (0)
Modification of SiC Properties by Insertion of Ge and Si Nanocrystals - Description by ab initio Supercell Calculations (2002) (0)
Reliable estimates of quasi-particle and excitonic effects in clusters through DVM total energy calculations (1998) (0)
Electron correlation effects on SiC(111) and SiC(0001) surfaces : Silicon carbide (2004) (0)
Thermodynamic Green Functions (2015) (0)
Density Functional Theory (2015) (0)
Description of Electron Ensemble (2015) (0)
Structural, electronic and optical properties of ordered 9,10-PQ monolayers on Si(001) surface (2004) (0)
Calculation of Surface-Induced Core-Level Shifts for Covalent Semiconductors C, Si, Ge, and α-Sn. II. (100) 2 × 1 Surfaces† (1989) (0)
Spatio-Temporal description of Quantum Transport — ∙ (2011) (0)
Optical properties of group-II oxides -- excitons and absorption in MgO, ZnO and CdO (2008) (0)
Bethe-Salpeter Equations for Response Functions (2015) (0)
Elementary Excitations II: Pair and Collective Excitations (2003) (0)
Giant excitonic absorption and emission in two-dimensional group-III nitrides (2020) (0)
Electronic States of Vacancies in 3C- and 4H-SiC (2000) (0)
Structure Optimization by Means of Total Energy Calculation For X(111)2×1 and X(100)2×1 Surfaces (X=C, Si, Ge, α-Sn) (1988) (0)
Structural , Electronic , and Optical Properties of Semiconductor Nanocrystallites (2008) (0)
Surface Reconstruction and MBE Growth of Cubic GaN on (001) GaAs: A Total Energy Study (1997) (0)
Electronic excitations stabilized by a degenerate electron gas in semiconductors (2018) (0)
Interface phonons in semiconductor superlattices (1990) (0)
Ab-initio description of the electonic stopping power beyond Boron-Oppenheimer approximation (2011) (0)
Crystalline and Magnetic Anisotropy of the 3$d$ Transistion-Metal Oxides (2013) (0)
Screening of the electron-hole interaction in modulation-doped quantum wells (1991) (0)
Large-Scale Ab initio Simulations for Embedded Nanodots (2007) (0)
Charge-Carrier Transport Through Guanine Crystals and Stacks (2010) (0)
Band-structure and optical parameters for wurtzite MgO, ZnO, and CdO – An ab-initio prediction (2009) (0)
Formation of Rocksalt-PbTe Quantum Dots Embedded in Zincblende-CdTe (2007) (0)
OPTICAL SPECTRA OF SMALL SEMICONDUCTOR STRUCTURES: AB INITIO CALCULATIONS (1999) (0)
Temperature dependence and anisotropy of charge-carrier mobilities in crystalline durene (2007) (0)
Recent Publications (1992) (0)
Preface: Phys. Status Solidi C 7/2 (2010) (0)
Electronic and optical properties of graphene structures (2001) (0)
Ab initio study of GaN/MnxGa1−xN digital heterostructure (2007) (0)
Energy gap and bond lengths of AlxGayIn1- x- yN, AlxGayIn1- x- yP and AlxGayIn1- x- yAs quaternary alloys (2007) (0)
Real-structure influence on topological states of HgTe quantum wells: Ab initio studies (2015) (0)
Electron-LO-Phonon Interaction near Interfaces Application to Scattering of Inversion Layer Electrons on SiO2-Si Interfaces (1985) (0)
Unified Theory of Charge Transport in Wide-Band and Narrow-Band Semiconductors (2009) (0)
Real-structure effects: Band gaps of Mg_xZn_{1-x}O, Cd_xZn_{1-x}O, and n-type ZnO from ab-initio calculations (2012) (0)
Towards a Hexagonal SiGe Semiconductor Laser (2020) (0)
Quantum Confined Stark Effect in Embedded PbTe Nanocrystals (2008) (0)
Ab Initio study on structural, electronic, magnetic and dielectric properties of LSNO within Density Functional Perturbation Theory (2017) (0)
Optical Spectroscopy of GaAs(100) Surfaces: Theory and Experiment (1997) (0)
' s personal copy Quantum conductance of In nanowires on Si ( 111 ) from first principles calculations (2007) (0)
Ab-initio investigation of one-dimensional graphene-silicene superlattices (2013) (0)
Group-ΙΙΙ Adsorption and Bond Stacking on SiC(111) Surfaces (2000) (0)
Stability and structure of free-standing III-V nanorods: An \textit{ab initio} investigation (2008) (0)
Effect of free carrier absorption on the efficiency of nitride devices. (2009) (0)
Insights in the T-matrix formalism (2010) (0)
Nanomagnetism in Transition Metal Doped Si Nanocrystals (2010) (0)
Coulomb attraction in optical spectra of quantum discs (1994) (0)
quantum well solar cells from first-principles calculations (2018) (0)
Many‐body and overlayer effects on surface optical properties (2003) (0)
Calculation of optical properties for systems with large supercells (2000) (0)
Electronic and Transport Properties of Quasi-1D Wires of Biological Molecules (2010) (0)
Structural relaxation effects on the electronic excitations and optical properties of Ge nanocrystals embedded in a SiC matrix (2003) (0)
Transitions in Xenes between excitonic, topological and trivial insulator phases: influence of screening, band dispersion and external electric field (2023) (0)
First-principles insight in structure-property relationships of hexagonal Si and Ge polytypes (2023) (0)
Optical response of p-conjugated molecular monolayer adsorbed on the semiconductor Si ( 001 ) surface : A first-principles study (2005) (0)
INFLUENCE OF STRUCTURAL RELAXATION ON THE OPTICAL AND ELECTRONIC PROPERTIES OF Ge and Si NANOCRYSTALS (2005) (0)
GERMANIUM AND SILICON NANOCRYSTALS – EXCITATION ENERGIES AND COMPRESSION (2005) (0)
Elementary Excitations I: Single Electronic Quasiparticles (2003) (0)
Properties of the In2O3-Si interface: An ab initio study of a model geometry (2014) (0)
Reliable Estimates of Quasi-Particle Energies and Exci-Tonic Effects in Clusters Through Discrete-Variational-Method Total Energy Calculations (1997) (0)
Surface influence on stability and structure of III-V nanoro ds: First-principles studies (2006) (0)
Discontinuity of the dielectric function at Bragg reflexes (2008) (0)
Band Alignment at Non-Planar Si/SiO2 Interfaces for Nanostructured Si-Based Solar Cells (2011) (0)
SURFACE ENERGIES OF Ge AND Si AND CONSEQUENCES FOR NANOCRYSTALLITES (2001) (0)
Deposition of topological silicene, germanene and stanene on graphene-covered SiC substrates (2017) (0)
Properties of hydrogen doped ZnO films prepared by radio frequency magnetron sputtering (2012) (0)
Modeling of structure and properties of silicene and related novel 2D crystals (2014) (0)
Ab-initio Characterization of Colloidal IV-VI Semiconductor Quantum Dots (2010) (0)
Structural and Electronic Properties of IV-VI Semiconductor Nanodots (2008) (0)
Stability and geometry of free-standing III-V nanorods (2008) (0)
Electronic structure, vibrational properties, and optical spectra of two- and three-dimensional hexagonal InSe: Layer-dependent ab initio calculations (2022) (0)
Influence of chemical composition on confinement and interface character of optical phonons in GaAs/Ga1−xAlxAs superlattices (1992) (0)
ELECTRONIC AND OPTICAL PROPERTIES OF Si-CAPPED AND Ge-CAPPED NANOCRYSTALLITES (2005) (0)
Quantum spin Hall phases in tin-based films on a SiC substrate: An \textit{ab initio} study. (2017) (0)
Quasiparticle bandstructures of covalent semiconductors and their surfaces (1993) (0)
Zener Breakdown in the Optical Absorption of Semiconductor Superlattices (2000) (0)
Quasiparticle bandstructures for bulk SiC polytypes (1994) (0)
Theoretical Scanning Probe Images of the (001) Surfaces of MnO and NiO (2013) (0)
Influence of anisotropy, tilt and pairing of Weyl nodes: the Weyl semimetals TaAs, TaP, NbAs and NbP (2020) (0)
Structural and Magnetic Properties of MnTe Phases from Ab Initio Calculations (2012) (0)
Validity of Weyl fermion picture for transition metals monopnictides TaAs, TaP, NbAs, and NbP from ab initio studies (2018) (0)
Model GW Studies (2015) (0)
Stability of polar semiconductor heterostructures (2010) (0)
Band lineup at hexagonal Si$_x$Ge$_{1-x}$/Si$_y$Ge$_{1-y}$ alloy interfaces (2022) (0)
Novel Reconstruction Mechanism for Dangling-Bond Minimization : Combined Method Surface Structure Determination of SiC s 111 ds 3 3 3 d (1998) (0)
Efficient Light Emission from Hexagonal SiGe (2021) (0)
Anomalous Water Optical Absorption: Large-Scale First-Principles Simulations (2007) (0)
Optical absorption in transparent conducting oxides: Mott transition or Mahan excitons? (2011) (0)
Local-Field and Exchange-Correlation Effects in Optical Spectra of Wide-Band–Gap Semiconductors (1996) (0)
Thermal properties of Dirac fermions in Xenes: Model studies (2021) (0)
Ab-initio calculation of optical properties of wurtzitic In_x Ga_1x N and In_x Al_1x N alloys including excitonic effects (2012) (0)
(2 × 4) and (4 × 2) reconstructions of Gaas (001): The surface phase diagram re-examined (2001) (0)
Organic Molecule Adsorption on Stepped Si–Au Surfaces: Role of Functional Group on Geometry and Electronic Structure (2019) (0)
Ab initio calculation of optical properties with excitonic effects in wurtzite (2013) (0)
Optical anisotropy of Si(111)-( 4x1)/( 8x2)-In nanowires calculated from first-principles (2010) (0)
Energies and Forces (2015) (0)
Bonding and Energetics (2003) (0)
Exchange-Correlation Functionals (2015) (0)
Towards a photonic band edge laser using hexagonal-SiGe nanowire arrays (Conference Presentation) (2020) (0)
Ge NANOCRYSTALS IN SiC: AB INITIO SUPERCELL CALCULATIONS OF OPTICAL PROPERTIES (2001) (0)
Density Correlation and Electronic Polarization (2015) (0)
Electronic Excitations and Stability of the Ground State of C60 Molecules (1998) (0)
Electronic Surface Properties of Transparent Conducting Oxides: An Ab Initio Study (2013) (0)
Electronic Strucrjre of GaAs/Ga1-x Alx As Interfaces and Superlatti Ces From Tight-Binding Calculations (1988) (0)
Charge transport in guanine crystals (2008) (0)
Kohn-Sham Scheme (2015) (0)
Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal Si$_x$Ge$_{1-x}$ alloys (2022) (0)
Optics of Surfaces and Interfaces – a tribute to Wolfgang Richter (2015) (0)
Influence of Spontaneous and Piezoelectric Polarizations on the Lattice Dynamics of III-Nitride Structures (2001) (0)
Resonant decay of pair excitations of a 2D hole gas into optical phonons (1992) (0)
Electronic and Optical Properties of Alkaline Earth Metal Fluoride Crystals with the Inclusion of Many-Body Effects: A Comparative Study on Rutile MgF2 and Cubic SrF2 (2023) (0)
Quantum-kinetic theory of hot luminescence from pulse-excited semiconductors (2002) (0)
QUANTUM BEATS IN SEMICONDUCTOR S (2007) (0)
Theory of hot luminescence in pulse-excited semiconductors (2001) (0)
Silicene, germanene and tinene: Modeling of IR absorbance and topological states (2015) (0)
Peculiarities of Phonons in Strained Short-Period GaN/AIN Superlattices: A first principles study (2001) (0)
Set of Fundamental Equations (2015) (0)
Hamiltonian of Interacting Electrons (2015) (0)
Priority Programme of the Deutsche Forschungsgemeinschaft Group III‐Nitrides and Their Heterostructures: Growth, Characterization and Applications (2003) (0)
Differential Reflectance and Atomic Structure of (001) Diamond Surface. Theory. (1997) (0)
Classical versus ab initio structural relaxation: electronic excitations and optical properties of Ge nanocrystals embedded in an SiC matrix (2005) (0)
Transition Matrix Element and Recombination Mechanism of Hexagonal SiGe (2020) (0)

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What Schools Are Affiliated With Friedhelm Bechstedt?

Friedhelm Bechstedt is affiliated with the following schools:

University of Jena