Mechanical and Magnetic Properties of Rh and RhH: First-Principles Calculations

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	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).