Oxygen defect in silicon studied by semi-empirical calculations

Ballo, P. / Harmatha, L. / Donoval, D. | British Library Online Contents | 2008

Ab initio study of defect properties in YPO4

Gao, F. / Xiao, H. Y. / Zhou, Y. G. et al. | British Library Online Contents | 2012

Ab initio calculations of the LaMnO3 surface properties

Evarestov, R. A. / Kotomin, E. A. / Fuks, D. et al. | British Library Online Contents | 2004

Boron in ab initio calculations

Boustani, I. / Quandt, A. | British Library Online Contents | 1998

Challenges for ab initio defect modeling

Deak, P. / Aradi, B. / Frauenheim, T. et al. | British Library Online Contents | 2008