Study on phase stability of noble metal-transition metal-alloys by first principles calculation 第一原理電子論計算による貴金属-遷移金属合金の相安定性の研究
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Bibliographic Information
- Title
-
Study on phase stability of noble metal-transition metal-alloys by first principles calculation
- Other Title
-
第一原理電子論計算による貴金属-遷移金属合金の相安定性の研究
- Author
-
瀧澤, 聡
- Author(Another name)
-
タキザワ, サトシ
- University
-
東京大学
- Types of degree
-
理学博士
- Grant ID
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甲第8880号
- Degree year
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1991-03-29
Note and Description
博士論文
Table of Contents
- 論文目録 / (0001.jp2)
- CONTENTS / p1 (0007.jp2)
- 1.Introduction / p1 (0008.jp2)
- 2.Structural Stability of Elemental Noble Metals / p9 (0012.jp2)
- 2-1.Introduction / p9 (0012.jp2)
- 2-2.Calculational Details / p10 (0013.jp2)
- 2-3.Results and Discussions / p14 (0015.jp2)
- 3.Phase Stability of CuPd and CuPt Alloys / p18 (0017.jp2)
- 3-1.Introduction / p18 (0017.jp2)
- 3-2.Results / p22 (0019.jp2)
- 3-3.Discussions / p25 (0020.jp2)
- 3-4.Spin-Orbit Interaction / p30 (0023.jp2)
- 3-5.Comparison with Experiments / p31 (0023.jp2)
- 4.Theoretical Phase Diagram of Au-Pd System / p35 (0025.jp2)
- 4-1.Introduction / p35 (0025.jp2)
- 4-2.Method of Calculation / p37 (0026.jp2)
- 4-3.Results and Discussions / p43 (0029.jp2)
- 5.Analysis of Effective Interatomic Potentials / p48 (0032.jp2)
- 5-1.Introduction / p48 (0032.jp2)
- 5-2.Cluster Expansion Method / p52 (0034.jp2)
- 5-3.Comparison of Octahedron Approximation with Tetrahedron Approximation / p58 (0037.jp2)
- 6.Summary / p67 (0041.jp2)
- Appendix A. Overview on the Calculational Method / p69 (0042.jp2)
- Appendix B. Relativistic Corrections / p81 (0048.jp2)
- Reference / p86 (0051.jp2)
- Acknowledgements / p91 (0053.jp2)