Ab initio studies on the structural and magnetic properties of RhH
文献类型：期刊论文
| 作者 | Cui, X ; Wang, JT ; Liang, XX ; Zhao, GZ |
| 刊名 | SOLID STATE COMMUNICATIONS
 |
| 出版日期 | 2009 |
| 卷号 | 149期号:7-8页码:322 |
| 关键词 | TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD P PHASE-DIAGRAM BASIS-SET H SYSTEM D-METALS TEMPERATURES PRESSURES HYDRIDES CRYSTAL |
| ISSN号 | 0038-1098 |
| 通讯作者 | Cui, X: Inner Mongolia Univ, Sch Phys Sci & Technol, Hohhot 010021, Peoples R China. |
| 中文摘要 | Based on ab initio total energy calculations, the structural, electronic and magnetic properties of RhH alloy with both Cubic and tetrahedral structures are investigated as a function of the Volume. It is shown that NaCl-type cubic structure is more stable than the tetrahedral one energetically as obtained from the experimental findings. The cubic one has a small Volume with lattice parameter a = 4.053 angstrom and magnetic moment of 0.45(mu B), while the ZrH-type tetrahedral structure has a larger volume with lattice parameters a = 4.053 angstrom, c = 4.398 angstrom and magnetic inoment of 1.71 mu(B). The corresponding density of state for both structures are also shown to understand the magnetic behavior. (C) 2008 Elsevier Ltd. All rights reserved |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [10764003] |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33391]  |
| 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 | Cui, X,Wang, JT,Liang, XX,et al. Ab initio studies on the structural and magnetic properties of RhH[J]. SOLID STATE COMMUNICATIONS,2009,149(7-8):322. |
| APA | Cui, X,Wang, JT,Liang, XX,&Zhao, GZ.(2009).Ab initio studies on the structural and magnetic properties of RhH.SOLID STATE COMMUNICATIONS,149(7-8),322. |
| MLA | Cui, X,et al."Ab initio studies on the structural and magnetic properties of RhH".SOLID STATE COMMUNICATIONS 149.7-8(2009):322. |
入库方式： OAI收割
来源：物理研究所
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