Site preference of Ru in NiAl and valence band structure of NiAl containing Ru: First-principles study and photoelectron spectrum

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	Site preference of Ru in NiAl and valence band structure of NiAl containing Ru: First-principles study and photoelectron spectrum
	H. Wei; J. J. Liang; B. Z. Sun; Q. Zheng; X. F. Sun; P. Peng; M. S. Dargusch; X. Yao
	2010
发表期刊	Philosophical Magazine Letters
ISSN	0950-0839
卷号	90 期号:4 页码:225-232
摘要	The site preference of Ru in NiAl was studied using first-principles calculations. The calculation of formation energies indicated that the site preference of Ru was on the Ni sites. The valence band (VB) structures of the NiAl alloys were investigated by photoelectron spectroscopy. The VB spectra of the NiAl-Ru alloy was shifted away from the Fermi level so that the Ni d-band centroid moved to a higher energy by 7.77 eV as Ru was added. Such a shift revealed that the Ni-Ru interactions gave a significant contribution to the VB structure of the NiAl-Ru alloy.
部门归属	[wei, h.; liang, j. j.; zheng, q.; sun, x. f.] cas, inst met res, superalloys div, shenyang 110016, peoples r china. [wei, h.; dargusch, m. s.] univ queensland, sch engn, cooperat res ctr, cast, brisbane, qld 4072, australia. [sun, b. z.] northeastern univ, sch sci, shenyang 110004, peoples r china. [peng, p.] hunan univ, coll mat sci & engn, changsha 410082, hunan, peoples r china. [yao, x.] univ queensland, sch engn, brisbane, qld 4072, australia.;wei, h (reprint author), cas, inst met res, superalloys div, shenyang 110016, peoples r china;hwei@imr.ac.cn
关键词	Nial-ru Alloys Valence Band Structure Auger Electron Spectroscopy (Aes) Auger Parameter Ab-initio Alloys Magnetism Additions System Energy Atoms Cr Re
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WOS记录号	WOS:000276170000001
引用统计	被引频次：3[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/321006/31571
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Wei,J. J. Liang,B. Z. Sun,et al. Site preference of Ru in NiAl and valence band structure of NiAl containing Ru: First-principles study and photoelectron spectrum[J]. Philosophical Magazine Letters,2010,90(4):225-232.
APA	H. Wei.,J. J. Liang.,B. Z. Sun.,Q. Zheng.,X. F. Sun.,...&X. Yao.(2010).Site preference of Ru in NiAl and valence band structure of NiAl containing Ru: First-principles study and photoelectron spectrum.Philosophical Magazine Letters,90(4),225-232.
MLA	H. Wei,et al."Site preference of Ru in NiAl and valence band structure of NiAl containing Ru: First-principles study and photoelectron spectrum".Philosophical Magazine Letters 90.4(2010):225-232.