Publication Date:
2018-07-06
Description:
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
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
Permalink