Author:Phasha, MJ; Ngoepe, PE; Chauke, HR; Pettifor, DR; Nguyen-Mann, DDate:Jun 2010The first principles pseudopotential calculations based on the PerdeweBurkeeErnzerhof (PBE) form of generalized gradient approximation (GGA) within density functional theory (DFT) have been utilized to investigate the structural and elastic ...Read more