Ab initio calculations of the hydroxyl impurities in BaF2

Shi, H. / Wang, Y. / Jia, R. et al. | British Library Online Contents | 2011

First-Principles Calculations of Co Impurities and Native Defects in ZnO

Oba, F. / Yamamoto, T. / Ikuhara, Y. et al. | British Library Online Contents | 2002

Impurities in FeAs-based superconductor, SrFe2As2, studied by first-principles calculations

Kamiya, T. / Hiramatsu, H. / Katase, T. et al. | British Library Online Contents | 2010

First-principles study of structural stabilities, electronic and elastic properties of BaF2 under high pressure

Yang, X. / Hao, A. / Wang, X. et al. | British Library Online Contents | 2010

First principles calculations of the local moments for 4d impurities in bcc and fcc iron

Paduani, C. | British Library Online Contents | 2005