First-principle investigation of 3d transition metal elements in gamma '-Co-3(Al, W)

doi:10.1063/1.3319650

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	First-principle investigation of 3d transition metal elements in gamma '-Co-3(Al, W)
	Chen, Min 1; Wang, Chong-Yu 1,2
刊名	JOURNAL OF APPLIED PHYSICS
	2010-05-01
卷号	107 期号:9 页码:5
ISSN号	0021-8979
DOI	10.1063/1.3319650
通讯作者	Wang, Chong-Yu(cywang@mail.tsinghua.edu.cn)
英文摘要	The alloying effect of 3d transition metal elements on the lattice constants and their site preferences in gamma'-Co-3(Al, W) are systematically studied based on a supercell model. The lattice constant of the gamma' phase is modified by the addition of 3d transition metal elements, and it increases in the order of Fe < Ni < Mn < Cr < V < Ti. Four types of site preference are identified for these 3d elements in gamma' phase by analyzing the binding energy and the impurity formation energy. Ni, Fe, V, and Ti are recognized to stabilize the gamma' phase. Their distinct alloying effect is further revealed by investigating the impurity-induced charge density difference and the partial density of states. These results are in agreement with the experimental data ever reported. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3319650]
WOS研究方向	Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000277834300470
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/101825]
专题	金属研究所_中国科学院金属研究所
通讯作者	Wang, Chong-Yu
作者单位	1.Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Chen, Min,Wang, Chong-Yu. First-principle investigation of 3d transition metal elements in gamma '-Co-3(Al, W)[J]. JOURNAL OF APPLIED PHYSICS,2010,107(9):5.
APA	Chen, Min,&Wang, Chong-Yu.(2010).First-principle investigation of 3d transition metal elements in gamma '-Co-3(Al, W).JOURNAL OF APPLIED PHYSICS,107(9),5.
MLA	Chen, Min,et al."First-principle investigation of 3d transition metal elements in gamma '-Co-3(Al, W)".JOURNAL OF APPLIED PHYSICS 107.9(2010):5.