Total energy calculations of random alloys: Supercell, Connolly-Williams, and CPA methods

Abrikosov, I. A. / Ruban, A. V. / Johansson, B. et al. | British Library Online Contents | 1998

Supercell and cluster density functional calculations of the thermal stability of the divacancy in germanium

Janke, C. / Jones, R. / Coutinho, J. et al. | British Library Online Contents | 2006

Oscillator strengths and excitation energies of Ge and Si nanocrystals from ab initio supercell calculations

Weissker, H. C. / Furthmuller, J. / Bechstedt, F. | British Library Online Contents | 2003

Role of Ti diffusion on the formation of phases in the Al2O3–Al2O3 brazed interface

Kar, A. / Mandal, S. / Ghosh, R. N. et al. | British Library Online Contents | 2007

Site symmetry approach applied to the supercell model of MgAl2O4 spinel with oxygen interstitials: Ab initio calculations

Evarestov, Robert A. / Platonenko, Alexander / Zhukovskii, Yuri F. | British Library Online Contents | 2018