Catherine Stampfl

Density-functional calculations for III-V nitrides using the local-density approximation and the generalized gradient approximation

Catherine Stampfl, Chris G. Van de Walle · Physical review. B, Condensed matter · 1999 · 707 citations

Aluminium Nitride, Pseudopotential Plane-wave Method, Iii-v Nitrides +18

Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations

Catherine Stampfl, W. Mannstadt, Ryoji Asahi et al. · Physical review. B, Condensed matter · 2001 · 520 citations

High Temperature Stability, Engineering, Computational Chemistry +19

Phonon- Versus Electron-Mediated Desorption and Oxidation of CO on Ru(0001)

Mischa Bonn, S. Funk, Daniel N. Denzler et al. · Science · 1999 · 487 citations

Materials Science, Inorganic Chemistry, Carbon Dioxide +14

Energetics and electronic structure of stacking faults in AlN, GaN, and InN

Catherine Stampfl, Chris G. Van de Walle · Physical review. B, Condensed matter · 1998 · 327 citations

Materials Science, Aluminium Nitride, Electrical Engineering +15

Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation

Aloysius Soon, Mira Todorova, B. Delley et al. · Physical Review B · 2007 · 319 citations

Engineering, Chemistry, First-principles Investigation +19