Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1593569 | Solid State Communications | 2012 | 5 Pages |
Abstract
⺠The G0W0(PBE+U) with reasonable U value produce accurate band structures. ⺠The HSE opens up the band gaps in a similar way as the G0W0. ⺠The HSE (25% Fock-exchange) only well produces small band gaps.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Yubo Zhang, Xun Yuan, Xiudong Sun, Wenqing Zhang,