Occupation deficiency in layered structures of UNixSb2 (0⩽x⩽1) studied by density functional theory supercell calculations

Werwiński, M. / Szajek, A. | British Library Online Contents | 2017

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

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

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

Efficient supercell design for surface and interface calculations of hexagonal phases: a-Al2O3 case study

Sigumonrong, D. P. / Music, D. / Schneider, J. M. | British Library Online Contents | 2011