Density-functional calculations for III-V nitrides using the local-density approximation and the generalized gradient approximation C Stampfl, CG Van de Walle
Physical Review B 59 (8), 5521, 1999
759 1999 Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations C Stampfl, W Mannstadt, R Asahi, AJ Freeman
Physical Review B 63 (15), 155106, 2001
494 2001 Phonon-versus electron-mediated desorption and oxidation of CO on Ru (0001) M Bonn, S Funk, C Hess, DN Denzler, C Stampfl, M Scheffler, M Wolf, ...
Science 285 (5430), 1042-1045, 1999
474 1999 Energetics and electronic structure of stacking faults in AlN, GaN, and InN C Stampfl, CG Van de Walle
Physical Review B 57 (24), R15052, 1998
366 1998 Oxygen adsorption on Ag (111): A density-functional theory investigation WX Li, C Stampfl, M Scheffler
Physical Review B 65 (7), 075407, 2002
300 2002 Native defects and impurities in InN: First-principles studies using the local-density approximation and self-interaction and relaxation-corrected pseudopotentials C Stampfl, CG Van de Walle, D Vogel, P Krüger, J Pollmann
Physical Review B 61 (12), R7846, 2000
286 2000 Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation A Soon, M Todorova, B Delley, C Stampfl
Physical Review B 75 (12), 125420, 2007
275 2007 Converged properties of clean metal surfaces by all-electron first-principles calculations JLF Da Silva, C Stampfl, M Scheffler
Surface science 600 (3), 703-715, 2006
274 2006 Theoretical investigation of native defects, impurities, and complexes in aluminum nitride C Stampfl, CG Van de Walle
Physical Review B 65 (15), 155212, 2002
270 2002 Structure and Stability of a High-Coverage C Stampfl, S Schwegmann, H Over, M Scheffler, G Ertl
Physical review letters 77 (16), 3371, 1996
258 1996 Oxygen adsorption and stability of surface oxides on A Soon, M Todorova, B Delley, C Stampfl
Physical Review B 73 (16), 165424, 2006
249 2006 Role of embedded clustering in dilute magnetic semiconductors: Cr doped GaN XY Cui, JE Medvedeva, B Delley, AJ Freeman, N Newman, C Stampfl
Physical review letters 95 (25), 256404, 2005
243 2005 Theory of doping and defects in III–V nitrides CG Van de Walle, C Stampfl, J Neugebauer
Journal of crystal growth 189, 505-510, 1998
240 1998 Catalysis and corrosion: the theoretical surface-science context C Stampfl, MV Ganduglia-Pirovano, K Reuter, M Scheffler
Surface Science 500 (1-3), 368-394, 2002
230 2002 Identification of stable and metastable adsorption sites of K adsorbed on Al (111) C Stampfl, M Scheffler, H Over, J Burchhardt, M Nielsen, DL Adams, ...
Physical review letters 69 (10), 1532, 1992
219 * 1992 Water adsorption on the stoichiometric and reduced CeO 2 (111) surface: a first-principles investigation M Fronzi, S Piccinin, B Delley, E Traversa, C Stampfl
Physical Chemistry Chemical Physics 11 (40), 9188-9199, 2009
207 2009 First-principles theory of surface thermodynamics and kinetics C Stampfl, HJ Kreuzer, SH Payne, H Pfnür, M Scheffler
Physical review letters 83 (15), 2993, 1999
207 1999 Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst WX Li, C Stampfl, M Scheffler
Physical review letters 90 (25), 256102, 2003
205 2003 Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics WX Li, C Stampfl, M Scheffler
Physical Review B 68 (16), 165412, 2003
190 2003 Surface core-level shifts of clean and oxygen-covered Ru (0001) S Lizzit, A Baraldi, A Groso, K Reuter, MV Ganduglia-Pirovano, C Stampfl, ...
Physical Review B 63 (20), 205419, 2001
183 2001 