Comparison of valence-band structures of NiAl alloy containing Cr and Ti: Photoelectron spectrum and first-principles calculations
文献类型：期刊论文
| 作者 | H. Wei ; J. J. Liang ; B. Z. Sun ; P. Peng ; Q. Zheng ; X. F. Sun ; M. S. Dargusch ; X. Yao |
| 刊名 | Intermetallics
 |
| 出版日期 | 2010 |
| 卷号 | 18期号:5页码:1062-1066 |
| ISSN号 | 0966-9795 |
| 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 |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31570]  |
| 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. 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. |
入库方式： OAI收割
来源：金属研究所
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