Combined Approach of Density Functional Theory and Quantum Monte Carlo Method to Electron Correlation in Dilute Magnetic Semiconductors
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- Ohe Jun-ichiro
- Institute for Materials Research, Tohoku University CREST, Japan Science and Technology Agency (JST)
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- Tomoda Yoshihiro
- Institute for Materials Research, Tohoku University
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- Bulut Nejat
- Institute for Materials Research, Tohoku University CREST, Japan Science and Technology Agency (JST)
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- Arita Ryotaro
- Department of Applied Physics, University of Tokyo
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- Nakamura Kazuma
- Department of Applied Physics, University of Tokyo
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- Maekawa Sadamichi
- Institute for Materials Research, Tohoku University CREST, Japan Science and Technology Agency (JST)
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説明
We present a realistic study for electronic and magnetic properties in dilute magnetic semiconductor (Ga,Mn)As. A multi-orbital Haldane–Anderson model parameterized by density-functional calculations is presented and solved with the Hirsch–Fye quantum Monte Carlo algorithm. Results well reproduce experimental results in the dilute limit. When the chemical potential is located between the top of the valence band and an impurity bound state, a long-range ferromagnetic correlations between the impurities, mediated by antiferromagnetic impurity–host couplings, are drastically developed. We observe an anisotropic character in local density of states at the impurity-bound-state energy, which is consistent with the STM measurements. The presented combined approach thus offers a firm starting point for realistic calculations of the various family of dilute magnetic semiconductors.
収録刊行物
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 78 (8), 083703-083703, 2009
一般社団法人 日本物理学会
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詳細情報 詳細情報について
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- CRID
- 1390282679173557120
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- NII論文ID
- 130005437545
- 210000107905
- 40016692828
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- NII書誌ID
- AA00704814
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 10316755
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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- 抄録ライセンスフラグ
- 使用不可