Microstructure and tetragonal-to-orthorhombic phase transition of AFe(2)As(2) (A=Sr,Ca) as seen via transmission electron microscopy
文献类型：期刊论文
| 作者 | Ma, C ; Yang, HX ; Tian, HF ; Shi, HL ; Lu, JB ; Wang, ZW ; Zeng, LJ ; Chen, GF ; Wang, NL ; Li, JQ |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2009 |
| 卷号 | 79期号:6 |
| 关键词 | TWEED STRUCTURE SUPERCONDUCTIVITY |
| ISSN号 | 1098-0121 |
| 通讯作者 | Li, JQ: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China. |
| 中文摘要 | We report in detail our ab initio local density approximation (LDA)+Gutzwiller method, in which the Gutzwiller variational approach is naturally incorporated with the density-functional theory through the "Gutzwiller density-functional theory" (which is a generalization of original Kohn-Sham formalism). This method can be used for ground-state determination of electron systems ranging from weakly correlated metal to strongly correlated insulators with long-range ordering. We will show that its quality for ground state is as high as that by dynamic mean-field theory, and yet it is computationally much cheaper. In addition, the method is fully variational, the charge-density self-consistency can be naturally achieved, and the quantities, such as total energy and linear response, can be accurately obtained similarly as with LDA-type calculations. Applications on several typical systems are presented, and the characteristic aspects of this method are clarified. The obtained results using LDA+Gutzwiller are in better agreement with existing experiments, suggesting significant improvements over LDA or LDA+U. |
| 收录类别 | SCI |
| 资助信息 | National Science Foundation of China; Knowledge Innovation Project of the Chinese Academy of Sciences; 973 projects of the Ministry of Science and Technology of China |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/42096]  |
| 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 | Ma, C,Yang, HX,Tian, HF,et al. Microstructure and tetragonal-to-orthorhombic phase transition of AFe(2)As(2) (A=Sr,Ca) as seen via transmission electron microscopy[J]. PHYSICAL REVIEW B,2009,79(6). |
| APA | Ma, C.,Yang, HX.,Tian, HF.,Shi, HL.,Lu, JB.,...&Li, JQ.(2009).Microstructure and tetragonal-to-orthorhombic phase transition of AFe(2)As(2) (A=Sr,Ca) as seen via transmission electron microscopy.PHYSICAL REVIEW B,79(6). |
| MLA | Ma, C,et al."Microstructure and tetragonal-to-orthorhombic phase transition of AFe(2)As(2) (A=Sr,Ca) as seen via transmission electron microscopy".PHYSICAL REVIEW B 79.6(2009). |
入库方式： OAI收割
来源：物理研究所
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