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Jürgen Furthmüller
Jürgen Furthmüller
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
G Kresse, J Furthmüller
Physical review B 54 (16), 11169, 1996
848371996
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
G Kresse, J Furthmüller
Computational materials science 6 (1), 15-50, 1996
528041996
Linear optical properties in the projector-augmented wave methodology
M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt
Physical Review B 73 (4), 045112, 2006
23992006
Absorption and emission of hexagonal InN. Evidence of narrow fundamental band gap
VY Davydov, AA Klochikhin, RP Seisyan, VV Emtsev, SV Ivanov, ...
physica status solidi (b) 229 (3), r1-r3, 2002
13682002
Ab initio force constant approach to phonon dispersion relations of diamond and graphite
G Kresse, J Furthmüller, J Hafner
EPL (Europhysics Letters) 32 (9), 729, 1995
7781995
Quasiparticle band structure based on a generalized Kohn-Sham scheme
F Fuchs, J Furthmüller, F Bechstedt, M Shishkin, G Kresse
Physical Review B 76 (11), 115109, 2007
5842007
First-principles study of ground- and excited-state properties of , , and polymorphs
A Schleife, F Fuchs, J Furthmüller, F Bechstedt
Physical Review B 73 (24), 245212, 2006
4492006
Band gap of hexagonal InN and InGaN alloys
VY Davydov, AA Klochikhin, VV Emtsev, DA Kurdyukov, SV Ivanov, ...
physica status solidi (b) 234 (3), 787-795, 2002
4192002
Band Gap of InN and In‐Rich InxGa1—xN alloys (0.36 < x < 1)
VY Davydov, AA Klochikhin, VV Emtsev, SV Ivanov, VV Vekshin, ...
physica status solidi (b) 230 (2), R4-R6, 2002
4142002
Ultrasoft pseudopotentials applied to magnetic Fe, Co, and Ni: From atoms to solids
EG Moroni, G Kresse, J Hafner, J Furthmüller
Physical Review B 56 (24), 15629, 1997
4111997
Ab initio calculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentials
J Furthmüller, J Hafner, G Kresse
Physical review B 50 (21), 15606, 1994
3791994
Absolute surface energies of group-IV semiconductors: dependence on orientation and reconstruction
AA Stekolnikov, J Furthmüller, F Bechstedt
Physical Review B 65 (11), 115318, 2002
3732002
Polytypism and properties of silicon carbide
F Bechstedt, P Käckell, A Zywietz, K Karch, B Adolph, K Tenelsen, ...
physica status solidi (b) 202 (1), 35-62, 1997
3391997
Optical properties of semiconductors using projector-augmented waves
B Adolph, J Furthmüller, F Bechstedt
Physical Review B 63 (12), 125108, 2001
3002001
Theory of the crystal structures of selenium and tellurium: the effect of generalized-gradient corrections to the local-density approximation
G Kresse, J Furthmüller, J Hafner
Physical Review B 50 (18), 13181, 1994
2971994
Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO
C Rödl, F Fuchs, J Furthmüller, F Bechstedt
Physical Review B 79 (23), 235114, 2009
2942009
Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces
J Furthmüller, J Hafner, G Kresse
Physical Review B 53 (11), 7334, 1996
2791996
Vacancies in SiC: Influence of Jahn-Teller distortions, spin effects, and crystal structure
A Zywietz, J Furthmüller, F Bechstedt
Physical Review B 59 (23), 15166, 1999
2751999
Vienna ab-initio simulation package (VASP)
G Kresse, J Furthmüller
Vienna: Vienna University, 2001
2492001
Origin of electron accumulation at wurtzite InN surfaces
I Mahboob, TD Veal, LFJ Piper, CF McConville, H Lu, WJ Schaff, ...
Physical Review B 69 (20), 201307, 2004
2422004
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