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First-principle investigation of 3d transition metal elements in gamma '-Co-3(Al, W)
Chen, Min1; Wang, Chong-Yu1,2
Corresponding AuthorWang, Chong-Yu(cywang@mail.tsinghua.edu.cn)
2010-05-01
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume107Issue:9Pages:5
AbstractThe 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]
DOI10.1063/1.3319650
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000277834300470
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:29[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/101826
Collection中国科学院金属研究所
Corresponding AuthorWang, Chong-Yu
Affiliation1.Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China
2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
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.
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