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

doi:10.1063/1.3319650

IMR OpenIR

	First-principle investigation of 3d transition metal elements in gamma '-Co-3(Al, W)
	Chen, Min 1; Wang, Chong-Yu 1,2
通讯作者	Wang, Chong-Yu(cywang@mail.tsinghua.edu.cn)
	2010-05-01
发表期刊	JOURNAL OF APPLIED PHYSICS
ISSN	0021-8979
卷号	107 期号:9 页码:5
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]
DOI	10.1063/1.3319650
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Applied
WOS记录号	WOS:000277834300470
出版者	AMER INST PHYSICS
引用统计	被引频次：40[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/101826
专题	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.