Mechanical and Magnetic Properties of Rh and RhH: First-Principles Calculations
文献类型：期刊论文
| 作者 | Cui, X ; Wang, JT ; Liang, XX ; Zhao, GZ |
| 刊名 | CHINESE PHYSICS LETTERS
 |
| 出版日期 | 2010 |
| 卷号 | 27期号:2 |
| 关键词 | GENERALIZED GRADIENT APPROXIMATION TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD TRANSITION-METALS AB-INITIO BASIS-SET CLUSTERS 4D FERROMAGNETISM SURFACES |
| ISSN号 | 0256-307X |
| 通讯作者 | Cui, X: Inner Mongolia Univ, Sch Phys Sci & Technol, Hohhot 010021, Peoples R China. |
| 中文摘要 | Mechanical and magnetic properties of Rh in bcc, fcc structures and RhH in cubic structure are investigated by using first-principles calculations. Theoretical strengths of these structures are given for the first time. The results show that the NaCl-type cubic RhH has a lower bulk modulus and a theoretical strength larger than those of Rh in bcc and fcc structures. A strong magneto-volume effect of a transition from "low magnetic moment-low cell volume" to "high magnetic moment-large cell volume" is also found for both the bcc and fcc Rh structures as well as RhH. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [10764003] |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/41853]  |
| 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. Mechanical and Magnetic Properties of Rh and RhH: First-Principles Calculations[J]. CHINESE PHYSICS LETTERS,2010,27(2). |
| APA | Cui, X,Wang, JT,Liang, XX,&Zhao, GZ.(2010).Mechanical and Magnetic Properties of Rh and RhH: First-Principles Calculations.CHINESE PHYSICS LETTERS,27(2). |
| MLA | Cui, X,et al."Mechanical and Magnetic Properties of Rh and RhH: First-Principles Calculations".CHINESE PHYSICS LETTERS 27.2(2010). |
入库方式： OAI收割
来源：物理研究所
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