Jürgen Furthmüller

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Jürgen Furthmüller is affiliated with the following schools: Technical University of Munich, University of Jena

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Jürgen Furthmüller

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Jürgen Furthmüller'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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set (1996) (44613)
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)
Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite (1995) (526)
Absolute surface energies of group-IV semiconductors: Dependence on orientation and reconstruction (2002) (282)
Band Gap of Hexagonal InN and InGaN Alloys (2002) (276)
Band Gap of InN and In-Rich InxGa1?xN alloys (0.36 < x < 1) (2002) (260)
Ultrasoft pseudopotentials applied to magnetic Fe, Co, and Ni: From atoms to solids (1997) (253)
Polytypism and Properties of Silicon Carbide (1997) (213)
Optical properties of semiconductors using projector-augmented waves (2001) (207)
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)
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)
NOVEL RECONSTRUCTION MECHANISM FOR DANGLING-BOND MINIMIZATION : COMBINED METHOD SURFACE STRUCTURE DETERMINATION OF SIC(111)-(3 X 3) (1998) (145)
Accurate band gaps of AlGaN‚ InGaN‚ and AlInN alloys calculations based on LDA-1/2 approach (2011) (133)
Optical and energy-loss spectra of MgO, ZnO, and CdO from ab initio many-body calculations (2009) (127)
Properties of hexagonal polytypes of group-IV elements from first-principles calculations (2002) (111)
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)
Dynamics and polarization of group-III nitride lattices: A first-principles study (2000) (101)
Band structures and optical spectra of InN polymorphs: Influence of quasiparticle and excitonic effects (2005) (97)
Universality of electron accumulation at wurtzite c- and a-plane and zinc-blende InN surfaces (2007) (95)
High-precision determination of atomic positions in crystals: The case of 6 H - and 4 H -SiC (1998) (93)
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)
Structural and electronic properties of rhodium surfaces: an ab initio approach (1996) (86)
Extreme softening of Vanderbilt pseudopotentials: General rules and case studies of first-row and d-electron elements (2000) (83)
Optical properties of Ge and Si nanocrystallites from ab initio calculations. II. Hydrogenated nanocrystallites (2002) (80)
Ground‐ and excited‐state properties of DNA base molecules from plane‐wave calculations using ultrasoft pseudopotentials (2004) (80)
LiNbO3 ground- and excited-state properties from first-principles calculations (2008) (71)
STACKING FAULTS IN GROUP-IV CRYSTALS : AN AB INITIO STUDY (1998) (66)
Lattice parameter and energy band gap of cubic AlxGayIn1−x−yN quaternary alloys (2003) (63)
Ab initiotheory of excitons and optical properties for spin-polarized systems: Application to antiferromagnetic MnO (2008) (61)
Anisotropy of the dielectric function for wurtzite InN (2004) (59)
Si-rich SiC(111)/(0001)3×3 and 3×3 surfaces: A Mott-Hubbard picture (1998) (59)
Validity of effective-medium theory for optical properties of embedded nanocrystallites from ab initio supercell calculations (2003) (58)
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)
Spin state of vacancies: From magnetic Jahn-Teller distortions to multiplets (2000) (53)
Band‐structure and optical‐transition parameters of wurtzite MgO, ZnO, and CdO from quasiparticle calculations (2009) (53)
Gap bowing and Stokes shift in InxGa1−xN alloys: First-principles studies (2002) (52)
Spin-orbit effects in structural and electronic properties for the solid state of the group-14 elements from carbon to superheavy element 114 (2010) (52)
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)
Origin of the different reconstructions of diamond, Si, and Ge(111) surfaces. (2001) (50)
Strain influence on valence-band ordering and excitons in ZnO: An ab initio study (2007) (47)
Bond-rotation versus bond-contraction relaxation of (110) surfaces of group-III nitrides (1998) (46)
Structural relaxation in Si and Ge nanocrystallites: Influence on the electronic and optical properties (2003) (46)
Theory of magnetostriction in amorphous and polycrystalline ferromagnets: I. Description of the formalism (1987) (45)
Structural and Electronic Properties of Clean and Hydrogenated Diamond (100) Surfaces (1994) (44)
GW self-energy calculations for systems with huge supercells (2002) (42)
Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites (2007) (42)
Structural elements on reconstructed Si and Ge(110) surfaces (2004) (42)
Spinodal decomposition in BxGa1−xN and BxAl1−xN alloys (2002) (41)
Theoretical investigation of edge dislocations in AlN (1998) (40)
Low-field and high-field electron transport in zinc blende InN (2009) (38)
Relation between spontaneous polarization and crystal field from first principles (2013) (38)
(2 × 1) reconstruction and hydrogen-induced de-reconstruction of the diamond (100) and (111) surfaces (1996) (37)
Substitutional carbon in group-III nitrides: Ab initio description of shallow and deep levels (2002) (37)
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)
Valence band density of states of zinc-blende and wurtzite InN from x-ray photoemission spectroscopy and first-principles calculations (2008) (34)
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)
Electronic properties of polar and nonpolar InN surfaces: A quasiparticle picture (2011) (32)
Optical properties of Si and Ge nanocrystals: Parameter‐free calculations (2005) (30)
Optical absorption spectra of doped and codoped Si nanocrystallites (2008) (30)
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)
The interaction of a point charge with a metal surface: theory and calculations for (111), (100) and (110) aluminium surfaces (1995) (28)
Excitation energies and radiative lifetimes of Ge1-xSix nanocrystals: alloying versus confinement effects. (2003) (28)
Near valence-band electronic properties of semiconducting β -Ga 2 O 3 (100) single crystals (2015) (28)
Influence of composition fluctuations and strain on gap bowing inInxGa1−xN (2001) (27)
Magnetic properties of MnN: Influence of strain and crystal structure (2005) (27)
Chemisorption of pyrrole and polypyrrole on Si(001) (2002) (26)
Theory of magnetostriction in amorphous and polycrystalline ferromagnets: II. Numerical results (1987) (26)
The influence of generalized gradient corrections to the LDA on predictions of structural phase stability: the Peierls distortion in As and Sb (1995) (26)
Native defects and complexes in SiC (2001) (24)
The unusual solid-state structure of mercury oxide: relativistic density functional calculations for the group 12 oxides ZnO, CdO, and HgO. (2009) (24)
Reduced influence of defects on oxidized Si nanocrystallites (2005) (24)
Electron correlation effects on SiC(111) and SiC(0001) surfaces (2004) (23)
Theory of magnetostriction in amorphous and polycrystalline ferromagnets (1986) (23)
Reconstruction of quasi-one-dimensional In ∕ Si ( 111 ) systems: Charge- and spin-density waves versus bonding (2006) (22)
Structural and electronic properties of α-tin nanocrystals from first principles (2013) (22)
Adatoms, dimers, and interstitials on group-IV(113) surfaces: First-principles studies of energetical, structural, and electronic properties (2003) (21)
Polytypic transformations in SiC: An ab initio study (1999) (21)
Influence of oxygen on optical properties of Si nanocrystallites (2005) (21)
Model of the epitaxial growth of SiC-polytypes under surface-stabilized conditons (1998) (20)
GaMnAs: Position of Mn-d levels and majority spin band gap predicted from GGA-1/2 calculations (2012) (19)
Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN (2005) (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)
Influence of the composition fluctuations and decomposition on the tunable direct gap and oscillator strength of Ge1-xSnx alloys (2016) (18)
Initial stages of III-nitride growth (1999) (18)
Comment on "mie resonances, infrared emission, and the band gap of InN". (2004) (17)
Ab initio theory of native defects in alloys: application to charged N vacancies in AlxGa1-xN (2002) (17)
Clustering of N impurities in ZnO (2012) (16)
Relaxation and electronic surface states of rhodium surfaces (1996) (16)
Intravacancy transition energies in 3C- and 4H-SiC (2000) (16)
Group-IV and group-V substitutional impurities in cubic group-III nitrides (2003) (16)
Electronic structure of InN studied using soft x-ray emission, soft x-ray absorption, and quasiparticle band structure calculations (2007) (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)
Ab initio calculations of the reconstructed (100) surfaces of cubic silicon carbide (1996) (15)
Influence of screening dynamics on excitons in Ga2O3 polymorphs (2019) (15)
Quantum structures in SiC (2003) (15)
Surface reconstruction and electronic properties of clean and hydrogenated diamond (111) surfaces (1996) (14)
Pt-induced nanowires on Ge(001) : Ab initio study (2008) (14)
Intrinsic spin Hall conductivity in one-, two-, and three-dimensional trivial and topological systems (2016) (14)
Dielectric Function of “Narrow” Band Gap InN (2002) (13)
Polytypism and surface structure of SiC (1997) (13)
Carbon vacancy in SiC: A negative-U system (1998) (13)
Tetramers on diamond, Si, and Ge(113) surfaces: Ab initio studies (2003) (12)
Corrigendum: Optical absorption and emission of α-Sn nanocrystals from first principles (2013) (12)
Theory of atomic level magnetostrictive deformations and stresses in amorphous ferromagnets (1988) (12)
Magnetic properties of GaN/Mn x Ga 1-x N digital heterostructures: First-principles and Monte Carlo calculations (2006) (12)
Ab initiocalculation of optical properties with excitonic effects in wurtzite InxGa1−xN and InxAl1−xN alloys (2013) (12)
Phase separation, gap bowing, and structural properties of cubic InxAl1-xN (2002) (12)
Properties of interfaces between cubic and hexagonal polytypes of silicon carbide (2002) (12)
Various contributions to magnetostriction in amorphous and polycrystalline ferromagnets (1988) (12)
Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction (2019) (12)
Spectral properties of InN and its native oxide from first principles (2010) (11)
First‐Principles Calculation of Optical Properties: Application to Embedded Ge and Si Dots (2001) (10)
Are amorphous ferromagnets with λS=0 magnetostrictive on a local scale? (1991) (10)
Local magnetic anisotropy and magnetostriction of amorphous ferromagnets (1990) (10)
Electronic and vibrational properties of group-III nitrides: Ab initio studies (2003) (10)
Carbon-based defects in GaN: Doping behaviour (2002) (10)
Stability, reconstruction, and surface electronic states of group-III atoms on SiC(111) (2001) (10)
Vibrational properties of the quasi-one-dimensional In/Si(111)-(4×1) system (2003) (10)
Band structure and electron gas of in chains on Si(1 1 1) (2005) (9)
Oscillator strengths and excitation energies of Ge and Si nanocrystals from ab initio supercell calculations (2003) (9)
Ab initio study of structural and electronic properties of planar defects in Si and SiC (2004) (9)
Efficient strain-induced light emission in lonsdaleite germanium (2020) (8)
Calculation of optical properties and density of states for systems with huge unit cells (2001) (8)
Ferroelectric phase transition in multiferroic Ge1-x Mn x Te driven by local lattice distortions. (2016) (8)
Surface Energies and Surface Dipoles at III-Nitride(111) Surfaces in Dependence on Stoichiometry (1999) (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)
The effect of external stress on the saturation magnetostriction constant of metallic glasses (1989) (8)
Chemisorption of pyrrole (C4H4NH) on Si(0 0 1) calculated from first-principles (2003) (7)
Stoichiometry and surface reconstructions of (001) surfaces of silicon carbide (1996) (7)
The LDA-1/2 technique: Recent developments (2013) (6)
Zero- and Two-Dimensional Native Defects (2004) (6)
Interplay of Surface Structure, Bond Stacking and Heteropolytypic Growth of SiC (2001) (6)
On the Change of Magnetostriction by Field Annealing of Amorphous Ferromagnetic Alloys (1990) (6)
Quantization and topological states in the spin Hall conductivity of low-dimensional systems: An ab initio study (2016) (6)
Theoretical prediction of ferromagnetic MnN layers embedded in wurtzite GaN (2006) (5)
Screening and band structure effects on quasi-one-dimensional transport in periodically modulated graphene (2011) (4)
Monovacancies in 3C and 4H SiC (1999) (4)
The Jahn-Teller Effect and the Structure of Monovacancies in Si, SiC and C (1997) (3)
Photoexcited electron and hole dynamics in semiconductor quantum dots : phonon-induced relaxation , dephasing , multiple exciton generation and recombination (2012) (3)
Ab-initio study of Mg-doped InN(0001) surface (2013) (3)
PARAMETERFREE CALCULATIONS OF OPTICAL PROPERTIES FOR SYSTEMS WITH MAGNETIC ORDERING OR THREE-DIMENSIONAL CONFINEMENT (2008) (3)
Electronic excitations in Si and Ge nanocrystals: Parameterfree calculations (2004) (3)
Nonparabolicity and excitons in optical absorption of InN (2006) (3)
Electronic and Optical Properties of Small Metal Fluoride Clusters (2020) (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)
One- and two-particle effects in the electronic and optical spectra of barium fluoride (2014) (3)
Dielectric and lattice-dynamical properties of III-nitrides (1999) (3)
Theory of Si-Rich SiC Surfaces: Consequences for Epitaxial Growth (1997) (2)
From pseudo-direct hexagonal germanium to direct silicon-germanium alloys (2021) (2)
Teraflops Sustained Performance With Real World Applications (2008) (2)
Direct-bandgap emission from hexagonal Ge and SiGe alloys (2020) (2)
Prediction of Optical Properties of Si and Ge Dots in SiC (2001) (1)
Reply to “Comment on ‘Band structures and optical spectra of InN polymorphs: Influence of quasiparticle and excitonic effects’ ” (2007) (1)
THEORY OF MAGNETOSTRICTION IN AMORPHOUS FERROMAGNETS (1988) (1)
Adsorption of group III atoms on SiC(111) surfaces (2000) (1)
ground-and excited-state properties from first-principles calculations (2008) (1)
In4d and Ga3d levels in InxX1−xN (X = Ga, Al) alloys (2013) (1)
Influence of structural relaxation on the optical and electronic properties of embedded Ge nanocrystals (2004) (1)
Electronic States of Vacancies in 3C- and 4H-SiC (2000) (0)
Towards a photonic band edge laser using hexagonal-SiGe nanowire arrays (Conference Presentation) (2020) (0)
Quasi-1D In/Si(111) Surface Structures (2006) (0)
Transition Matrix Element and Recombination Mechanism of Hexagonal SiGe (2020) (0)
Group-ΙΙΙ Adsorption and Bond Stacking on SiC(111) Surfaces (2000) (0)
GERMANIUM AND SILICON NANOCRYSTALS – EXCITATION ENERGIES AND COMPRESSION (2005) (0)
Ab initio calculation of optical properties with excitonic effects in wurtzite (2013) (0)
Modification of SiC Properties by Insertion of Ge and Si Nanocrystals - Description by ab initio Supercell Calculations (2002) (0)
Ge NANOCRYSTALS IN SiC: AB INITIO SUPERCELL CALCULATIONS OF OPTICAL PROPERTIES (2001) (0)
INFLUENCE OF STRUCTURAL RELAXATION ON THE OPTICAL AND ELECTRONIC PROPERTIES OF Ge and Si NANOCRYSTALS (2005) (0)
MAELAS 2.0: A new version of a computer program for the calculation of magneto-elastic properties (2021) (0)
Ab initio study of GaN/MnxGa1−xN digital heterostructure (2007) (0)
An ab initio Study of Native Defects in Cubic SiC: Vacancies and Stacking Faults (1997) (0)
SURFACE ENERGIES OF Ge AND Si AND CONSEQUENCES FOR NANOCRYSTALLITES (2001) (0)
Towards a Hexagonal SiGe Semiconductor Laser (2020) (0)
ELECTRONIC AND OPTICAL PROPERTIES OF Si-CAPPED AND Ge-CAPPED NANOCRYSTALLITES (2005) (0)
Large-Scale Ab initio Simulations for Embedded Nanodots (2007) (0)
Electron correlation effects on SiC(111) and SiC(0001) surfaces : Silicon carbide (2004) (0)
Novel Reconstruction Mechanism for Dangling-Bond Minimization : Combined Method Surface Structure Determination of SiC s 111 ds 3 3 3 d (1998) (0)
Classical versus ab initio structural relaxation: electronic excitations and optical properties of Ge nanocrystals embedded in an SiC matrix (2005) (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)
Efficient Light Emission from Hexagonal SiGe (2021) (0)
Energy gap and bond lengths of AlxGayIn1- x- yN, AlxGayIn1- x- yP and AlxGayIn1- x- yAs quaternary alloys (2007) (0)

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What Schools Are Affiliated With Jürgen Furthmüller?

Jürgen Furthmüller is affiliated with the following schools:

Technical University of Munich
University of Jena

Jürgen Furthmüller's Academic­Influence.com Rankings

Why Is Jürgen Furthmüller Influential?

Jürgen Furthmüller's Published Works

Published Works

What Schools Are Affiliated With Jürgen Furthmüller?

Jürgen Furthmüller's AcademicInfluence.com Rankings