Intermediate-pressure phases of cerium studied by an LDA plus Gutzwiller method
文献类型：期刊论文
| 作者 | Tian, MF ; Deng, XY ; Fang, Z ; Dai, X |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2011 |
| 卷号 | 84期号:20 |
| 关键词 | CORRELATED LATTICE FERMIONS GROUND-STATE PROPERTIES CRYSTAL-STRUCTURES WAVE-FUNCTIONS METAL DIMENSIONS CE FERROMAGNETISM TRANSITIONS BANDS |
| ISSN号 | 1098-0121 |
| 通讯作者 | Tian, MF: Inst Appl Phys & Computat Math, POB 8009, Beijing 100088, Peoples R China. |
| 中文摘要 | The thermodynamic stable phase of cerium metal in the intermediate pressure regime (5.0-13.0 GPa) is studied in detail by the newly developed local-density approximation (LDA) + Gutzwiller method, which can include the strong correlation effect among the 4f electrons in cerium metal properly. Our numerical results show that the alpha '' phase, which has the distorted body-centered-tetragonal structure, is the thermodynamic stable phase in the intermediate pressure regime and all the other phases including the alpha' phase (alpha-U structure), alpha phase (fcc structure), and bct phases are either metastable or unstable. Our results are quite consistent with the most recent experimental data. |
| 收录类别 | SCI |
| 资助信息 | 973 Program of China [2011CBA00108]; NSF of China [NSFC 10876042, NSFC 10874158]; Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP [2011-056000-0833F] |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/40171]  |
| 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 | Tian, MF,Deng, XY,Fang, Z,et al. Intermediate-pressure phases of cerium studied by an LDA plus Gutzwiller method[J]. PHYSICAL REVIEW B,2011,84(20). |
| APA | Tian, MF,Deng, XY,Fang, Z,&Dai, X.(2011).Intermediate-pressure phases of cerium studied by an LDA plus Gutzwiller method.PHYSICAL REVIEW B,84(20). |
| MLA | Tian, MF,et al."Intermediate-pressure phases of cerium studied by an LDA plus Gutzwiller method".PHYSICAL REVIEW B 84.20(2011). |
入库方式： OAI收割
来源：物理研究所
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