Journal Article

PreJuSER-12936

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png First-principles theory of dilute magnetic semiconductors

Sato, K. ; Bergqvist, L. ; Kudrnovsky, J. ; Dederichs, P. H.FZJ* ; Eriksson, O. ; Turek, I. ; Sanyal, B. ; Bouzerar, G. ; Katayama-Yoshida, H. ; Dinh, V. A. ; Fukushima, T. ; Kizaki, H. ; Zeller, R.FZJ*

2010
APS College Park, Md.

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Please use a persistent id in citations: doi:10.1103/RevModPhys.82.1633

Abstract: This review summarizes recent first-principles investigations of the electronic structure and magnetism of dilute magnetic semiconductors (DMSs), which are interesting for applications in spintronics. Details of the electronic structure of transition-metal-doped III-V and II-VI semiconductors are described, especially how the electronic structure couples to the magnetic properties of an impurity. In addition, the underlying mechanism of the ferromagnetism in DMSs is investigated from the electronic structure point of view in order to establish a unified picture that explains the chemical trend of the magnetism in DMSs. Recent efforts to fabricate high-TC DMSs require accurate materials design and reliable TC predictions for the DMSs. In this connection, a hybrid method (ab initio calculations of effective exchange interactions coupled to Monte Carlo simulations for the thermal properties) is discussed as a practical method for calculating the Curie temperature of DMSs. The calculated ordering temperatures for various DMS systems are discussed, and the usefulness of the method is demonstrated. Moreover, in order to include all the complexity in the fabrication process of DMSs into advanced materials design, spinodal decomposition in DMSs is simulated and we try to assess the effect of inhomogeneity in them. Finally, recent works on first-principles theory of transport properties of DMSs are reviewed. The discussion is mainly based on electronic structure theory within the local-density approximation to density-functional theory.

Keyword(s): J

Note: This research was partially supported by a Grantin- Aid for Scientific Research in Priority Areas "Quantum Simulators and Quantum Design" (Grant No. 17064014) and "Semiconductor Nanospintronics," a Grand-in-Aid for Scientific Research for young researchers, JST-CREST, NEDO-nanotech, the 21st Century COE, the JSPS core-to-core program " Computational Nano-materials Design," and the GCOE program " Core Research and Engineering of Advanced Materials-Interdisciplinary Education Center for Materials Science." K. S. acknowledges financial support from the National Science Foundation under Grant No. PHY99-07949 (Kavli Institute for Theoretical Physics SPINTRONICS06 Program at University of California, Santa Barbara), the Kansai Research Foundation for technology promotion (KRF), the Murata Science Foundation, Inoue Foundation for Science (IFS), TEPCO Research Foundation (TRF), and Yukawa Memorial Foundation (Mochizuki Fund). T. F. acknowledges financial support from the Foundation for C&C Promotion. J.K. and I. T. acknowledge financial support from Institutional Research Projects (Grants No. AV0Z10100520 and No. AV0Z20410507), the Grant Agency of the AS CR (Grant No. A100100616), and the Czech Grant Agency (Grant No. 202/07/0456). L. B. acknowledges support from the European Union (EU) in the framework of Marie Curie Actions for Mobility and Human Resources. O.E. and B. S. thank the Swedish Research Council, The Foundation for Strategic Research, and SNAC for support. O.E. is grateful to the ERC for support.

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Contributing Institute(s):

1. Theorie der Strukturbildung (IFF-3)
2. Theoretische Nanoelektronik (IAS-3)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2010

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