First-principles calculation of the electronic structure of metal/insulator interfaces
Project/Area Number |
20540320
|
Research Category |
Grant-in-Aid for Scientific Research (C)
|
Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Condensed matter physics I
|
Research Institution | Nihon University |
Principal Investigator |
ISHIDA Hiroshi Nihon University, 文理学部, 教授 (60184537)
|
Project Period (FY) |
2008 – 2010
|
Project Status |
Completed (Fiscal Year 2010)
|
Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2010: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2009: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2008: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
|
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 / トンネル接合 / エムベッディッドGreen関数法 / 強相関物質 / クラスター動的平均場理論 / Green関数法 / 動的平均場近似 / 半無限計算 / 金属絶縁体界面 |
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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Report
(4 results)
Research Products
(17 results)