2014 Fiscal Year Final Research Report
Theoretical calculation of the electronic structure of topological insulators
| Project/Area Number |
24540328
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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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 |
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| Project Period (FY) |
2012-04-01 – 2015-03-31
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| Keywords | トポロジカル絶縁体 / 表面エネルギーバンド / 密度汎関数法 / 動的平均場理論 / 時間反転対称性 / スピン軌道相互作用 / Rashba効果 / バンド反転 |
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| Outline of Final Research Achievements |
We have conducted a theoretical study of topological band insulators, whose electronic structure is characterized by their metallic surface states. In our study, instead of adopting the standard slab approximation, we treated truly semi-infinite crystal surfaces by using the embedded Green's function technique of Inglesfield. We performed first-principles calculations within density functional theory to reveal the energy dispersion relation of the surface bands of topological band insulators such as Bi2Se3. Also, we developed a method to judge if a band insulator is topologically trivial or nontrivial from the behavior of its embedding potential within a projected bulk energy band gap. Parallel to this, we studied the electronic structure at the interface between a topological band insulator and a strongly correlated Mott insulator by applying the layer dynamical mean-field theory to a model tight-binding Hamiltonian with a local Coulomb repulsion energy.
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| Free Research Field |
固体物理理論
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