Friedhelm Bechstedt
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Condensed matter physicist at University of Jena and ETSF
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Physics
Friedhelm Bechstedt's Degrees
- PhD Physics University of Jena
- Masters Physics University of Jena
- Bachelors Physics University of Jena
Why Is Friedhelm Bechstedt Influential?
(Suggest an Edit or Addition)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)
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- 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)
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- 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)
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- 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)
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- 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)
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- 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)
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- 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)
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- Optical Excitation and Bose Condensation of Excitons in Low-Dimensional Systems (1992) (5)
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- 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)
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- 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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