Comparison of valence-band structures of NiAl alloy containing Cr and Ti: Photoelectron spectrum and first-principles calculations

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	Comparison of valence-band structures of NiAl alloy containing Cr and Ti: Photoelectron spectrum and first-principles calculations
	H. Wei; J. J. Liang; B. Z. Sun; P. Peng; Q. Zheng; X. F. Sun; M. S. Dargusch; X. Yao
	2010
发表期刊	Intermetallics
ISSN	0966-9795
卷号	18 期号:5 页码:1062-1066
摘要	The effect of additions of Cr and Ti on the valence-band structures of NiAl alloys was investigated by a combination of photoelectron spectroscopy and first-principles calculations. The measurement of the ultraviolet photoelectron spectra (UPS) demonstrated that the Ni-d band centroid simultaneously moved towards higher energy by 5.26 eV as Ti and Cr were added. The charge transfer from Ti to Ni made the covalent bonding of the NiAl-Ti alloy become stronger due to the ionicity contribution from the Ni-Ti interactions. The Ni-Cr interactions reduced the directionality of the Ni-Al bonds, resulting in a uniform charge density. This meant that the covalent bonding present in the NiAl-Cr alloy exhibited some metallic bonding characteristics. (C) 2010 Elsevier Ltd. All rights reserved.
部门归属	[wei, h.; liang, j. j.; zheng, q.; sun, x. f.] chinese acad sci, inst met res, superalloys div, shenyang 110016, peoples r china. [wei, h.; dargusch, m. s.] univ queensland, sch mech & min engn, dmtc, 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.;wei, h (reprint author), chinese acad sci, inst met res, superalloys div, shenyang 110016, peoples r china;hwei@imr.ac.cn
关键词	Nickel Aluminides Based On Nial Electronic Structure Of Metals And Alloys Photoelectron Spectrum Ab-initio Calculations Site Occupancies Bonding Characteristics Intermetallic Compounds Electronic-structure Ternary Additions Auger Parameter Fe Selectivity Aluminides Preference
URL	查看原文
WOS记录号	WOS:000277494400047
引用统计	被引频次：6[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/321006/31570
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. Comparison of valence-band structures of NiAl alloy containing Cr and Ti: Photoelectron spectrum and first-principles calculations[J]. Intermetallics,2010,18(5):1062-1066.
APA	H. Wei.,J. J. Liang.,B. Z. Sun.,P. Peng.,Q. Zheng.,...&X. Yao.(2010).Comparison of valence-band structures of NiAl alloy containing Cr and Ti: Photoelectron spectrum and first-principles calculations.Intermetallics,18(5),1062-1066.
MLA	H. Wei,et al."Comparison of valence-band structures of NiAl alloy containing Cr and Ti: Photoelectron spectrum and first-principles calculations".Intermetallics 18.5(2010):1062-1066.