作者: Z Pei , L-F Zhu , M Friák , S Sandlöbes , J von Pezold
DOI: 10.1088/1367-2630/15/4/043020
关键词:
摘要: … Our DFT calculations were carried out using the projector augmented wave method [39] and the electronic exchange–correlation effects were described by the generalized gradient …