Mechanical and Magnetic Properties of Rh and RhH: First-Principles Calculations | |
Cui, X ; Wang, JT ; Liang, XX ; Zhao, GZ | |
刊名 | CHINESE PHYSICS LETTERS
![]() |
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 |
内容类型 | 期刊论文 |
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). |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
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。
修改评论