| 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 | 66687 | 1996 |
| 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 | 41973 | 1996 |
| 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 | 1882 | 2006 |
| 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 | 1314 | 2002 |
| 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 | 691 | 1995 |
| 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 | 529 | 2007 |
| 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 | 405 | 2002 |
| 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 | 402 | 2006 |
| 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 | 399 | 2002 |
| 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 | 396 | 1997 |
| 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 | 366 | 1994 |
| 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 | 346 | 2002 |
| 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 | 304 | 1997 |
| Optical properties of semiconductors using projector-augmented waves B Adolph, J Furthmüller, F Bechstedt Physical Review B 63 (12), 125108, 2001 | 277 | 2001 |
| 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 | 260 | 1996 |
| 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 | 259 | 2009 |
| 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 | 256 | 1999 |
| 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 | 233 | 2004 |
| First-principles calculations of the thermodynamic and structural properties of strained In x Ga 1− x N and Al x Ga 1− x N alloys LK Teles, J Furthmüller, LMR Scolfaro, JR Leite, F Bechstedt Physical Review B 62 (4), 2475, 2000 | 218 | 2000 |
| Novel reconstruction mechanism for dangling-bond minimization: Combined method surface structure determination of SiC (111)-(3× 3) U Starke, J Schardt, J Bernhardt, M Franke, K Reuter, H Wedler, K Heinz, ... Physical review letters 80 (4), 758, 1998 | 208 | 1998 |
