Screened exchange dynamical mean-field theory and its relation to density functional theory: SrVO3 and SrTiO3
文献类型：期刊论文
| 作者 | van Roekeghem, A ; Biermann, S |
| 刊名 | EPL
 |
| 出版日期 | 2014 |
| 卷号 | 108期号:5 |
| ISSN号 | 0295-5075 |
| 通讯作者 | van Roekeghem, A (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We present the first application of a recently proposed electronic-structure scheme to transition metal oxides: screened exchange dynamical mean-field theory includes non-local exchange beyond the local density approximation and dynamical correlations beyond standard dynamical mean-field theory. Our results for the spectral function of SrVO3 are in agreement with the available experimental data, including photoemission spectroscopy and thermodynamics. Finally, the 3d(0) compound SrTiO3 serves as a test case to illustrate how the theory reduces to the band structure of standard electronic-structure techniques for weakly correlated compounds. Copyright (C) EPLA, 2014 |
| 资助信息 | OLIVIER PARCOLLET; IDRIS/GENCI Orsay [091393]; National Science Foundation [NSF PHY1125915]; European Research Council [617196] |
| 语种 | 英语 |
| 公开日期 | 2015-04-14 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/59065]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | van Roekeghem, A,Biermann, S. Screened exchange dynamical mean-field theory and its relation to density functional theory: SrVO3 and SrTiO3[J]. EPL,2014,108(5). |
| APA | van Roekeghem, A,&Biermann, S.(2014).Screened exchange dynamical mean-field theory and its relation to density functional theory: SrVO3 and SrTiO3.EPL,108(5). |
| MLA | van Roekeghem, A,et al."Screened exchange dynamical mean-field theory and its relation to density functional theory: SrVO3 and SrTiO3".EPL 108.5(2014). |
入库方式： OAI收割
来源：物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。