2010 Fiscal Year Final Research Report
First-principles calculation of the electronic structure of metal/insulator interfaces
| Project/Area Number |
20540320
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Condensed matter physics I
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| Research Institution | Nihon University |
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Principal Investigator |
ISHIDA Hiroshi Nihon University, 文理学部, 教授 (60184537)
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| Project Period (FY) |
2008 – 2010
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| Keywords | 第一原理計算 / 密度汎関数法 / 動的平均場理論 / ヘテロ界面 / 金属絶縁体転移 |
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| Research Abstract |
We studied the electronic structure of metal/insulator interfaces by quantum mechanical calculations. In particular, to describe the Mott insulator arising from strong Coulomb interactions, we derived a method to apply dynamical mean-field theory to multilayer systems such as semi-infinite interfaces. By applying this method and also by incorporating interatomic correlation effects, we clarified how metallic states penetrate into the insulator layers at the metal/Mott insulator interface.
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