Site preference of Ru in NiAl and valence band structure of NiAl containing Ru: First-principles study and photoelectron spectrum
文献类型:期刊论文
作者 | H. Wei ; J. J. Liang ; B. Z. Sun ; Q. Zheng ; X. F. Sun ; P. Peng ; M. S. Dargusch ; X. Yao |
刊名 | Philosophical Magazine Letters |
出版日期 | 2010 |
卷号 | 90期号:4页码:225-232 |
ISSN号 | 0950-0839 |
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 |
中文摘要 | 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. |
原文出处 | |
公开日期 | 2012-04-13 |
源URL | [http://210.72.142.130/handle/321006/31571] |
专题 | 金属研究所_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. |
入库方式: OAI收割
来源:金属研究所
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