2000年10月
Discrete-variational Dirac-Slater calculations on the valence band XPS for alpha-uranium metal
JOURNAL OF NUCLEAR MATERIALS
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- 巻
- 281
- 号
- 2-3
- 開始ページ
- 140
- 終了ページ
- 145
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- 出版者・発行元
- ELSEVIER SCIENCE BV
We have performed relativistic molecular orbital calculations for the valence band structure of alpha-uranium metal, using the discrete-variational Dirac-Slater (DV-DS) method. We have used a U-9 model cluster for the calculation of the bulk electronic structure of alpha-uranium metal. The calculated valence X-ray photoelectron spectrum (XPS) which is obtained from the U-9 model cluster agrees well with the experimental spectrum. The peaks in the experimental spectrum are assigned to atomic components on the basis of the partial density of states (pDOS) for uranium atomic orbitals (AOs). (C) 2000 Elsevier Science B.V. All rights reserved.
- リンク情報
- ID情報
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- ISSN : 0022-3115
- Web of Science ID : WOS:000089673900006