Publikationsdatum:
2018-07-06
Beschreibung:
Author(s): Weiwei Gao, Weiyi Xia, Yabei Wu, Wei Ren, Xiang Gao, and Peihong Zhang We present a systematic study of the quasiparticle band structures of transition-metal halides CuCl, CuBr, AgCl, and AgBr. We show that GW calculations for cuprous halides are significantly more challenging computationally than ZnO, a much-discussed extreme case. The local-density approximation (LDA... [Phys. Rev. B 98, 045108] Published Thu Jul 05, 2018
Schlagwort(e):
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Digitale ISSN:
1095-3795
Thema:
Physik
Permalink