First-Principles Study on the Ferromagnetism and Curie Temperature of Mn-Doped AlX and InX (X=N, P, As, and Sb)(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
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概要
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We investigate the electronic structure and magnetic properties of AlN-, AlP-, AlAs-, AlSb-, InN-, InP-, InAs-, and InSb-based dilute magnetic semiconductors (DMS) with Mn impurities from first-principles. The electronic structure of DMS is calculated by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method in connection with the local density approximation (LDA) and the LDA+U method. Describing the magnetic properties by a classical Heisenberg model, effective exchange interactions are calculated by applying magnetic force theorem for two impurities embedded in the CPA medium. With the calculated exchange interactions, T_C is estimated by using the mean field approximation, the random phase approximation and the Monte Carlo simulation. It is found that the p-d exchange model [Dietl et al.: Science 287 (2000) 1019] is adequate for a limited class of DMS and insufficient to describe the ferromagnetism in wide gap semiconductor based DMS such as (Ga,Mn)N and the presently investigated (Al,Mn)N and (In,Mn)N.
- 2007-02-15
著者
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SATO Kazunori
The Institute of Scientific and Industrial Research (ISIR), Osaka University
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KATAYAMA-YOSHIDA Hiroshi
The Institute of Scientific and Industrial Research (ISIR), Osaka University
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DEDERICHS Peter
Institut fur Festkorperforschung, Forschungszentrum Julich
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Dederichs P.
Institut Fuer Festkoerperforschung Forschungszentrum Juelich
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Dederichs Peter
Institut Fuer Festkoerperforschung Forschungszentrum Juelich
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Katayama-yoshida Hiroshi
The Institute Of Scientific And Industrial Research Osaka University
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Katayama-yoshida Hiroshi
Department Of Condensed Matter Physics Osaka University:department Of Computational Nanomaterials De
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Sato Kazunori
The Institute Of Scientific And Industrial Research Osaka University
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Katayama-yoshida Hiroshi
The Institute Of Scientific And Industrial Research (isir) Osaka University
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Kizaki Hidetoshi
Osaka Univ. Osaka Jpn
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Sato Kazunori
Osaka Univ. Osaka
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Dederichs Peter
Institut für Ferskoerperforschung, Forschungszentrum Juelich, D-52425 Juelich, Germany
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