Theoretical study of electronic structure and physical properties of Li[2] CuO[2]
この論文にアクセスする
この論文をさがす
著者
書誌事項
- タイトル
-
Theoretical study of electronic structure and physical properties of Li[2] CuO[2]
- 著者名
-
田中, 憲和
- 著者別名
-
タナカ, ノリカズ
- 学位授与大学
-
岡山理科大学
- 取得学位
-
博士 (理学)
- 学位授与番号
-
甲第理53号
- 学位授与年月日
-
2000-03-20
注記・抄録
博士論文
目次
- Contents / p5 (0007.jp2)
- Abstract / p1 (0003.jp2)
- Acknowledgments / p4 (0006.jp2)
- Part I Electronic Structure and Magnetic Properties of Li₂CuO₂ / p1 (0009.jp2)
- §1 Introduction / p1 (0009.jp2)
- §2 Anisotropy of g-factor and Magnetic Anisotropy Energy / p5 (0013.jp2)
- 2.1 Anisotropy of g-factor / p5 (0013.jp2)
- 2.2 Magnetic anisotropy energy / p13 (0021.jp2)
- §3 Electronic Band Structure / p37 (0045.jp2)
- 3.1 Procedure of band calculation / p37 (0045.jp2)
- 3.2 Results for non-magnetic state / p39 (0047.jp2)
- 3.3 Results for antiferromagnetic state / p56 (0064.jp2)
- 3.4 Effect of on-site Coulomb interaction / p62 (0070.jp2)
- §4 Summary and Discussion / p69 (0077.jp2)
- Part II Application of Li₂CuO₂ to Battery Electrode / p73 (0081.jp2)
- §5 Introduction / p73 (0081.jp2)
- §6 Band Calculation and Total Energy / p78 (0086.jp2)
- 6.1 Li₂Cu0₂ / p79 (0087.jp2)
- 6.2 Non-magnetic Cu0₂ / p80 (0088.jp2)
- 6.3 Metallic Li / p81 (0089.jp2)
- §7 Application to Battery Electrode / p86 (0094.jp2)
- References / p88 (0096.jp2)
- Appendix:Band Calculation / A-1 / (0099.jp2)
- 1. Density Functional Theory / A-1 / (0099.jp2)
- 2. Kohn-Sham Equation / A-2 / (0100.jp2)
- 3. Local Density Approximation (LDA) and Local Spin Density Approximation (LSDA) / A-5 / (0103.jp2)
- 4. LDA+U Approximation / A-11 / (0109.jp2)
- References for Appendix / A-13 / (0111.jp2)
- List of publications / (0112.jp2)