Fyzikální ústav Akademie věd ČR

First-principles theory of dilute semiconductors

K. Sato1, L. Bergqvist2, J. Kudrnovský3, P.H. Dederichs4, O. Eriksson5, I. Turek6, B. Sanyal7, G. Bouzerar8, H. Katayama-Yoshida9, V.A. Dinh10, T. Fukushima11, H. Kizaki12, R. Zeller13

This review summarizes recent first-principles investigations of the electronic structure and magnetism of dilute magnetic semiconductors (DMSs) use 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. A hybrid method (ab initio electronic-structure calculations coupled to Monte Carlo simulations for the thermal properties) is discussed for calculating the Curie temperature of DMSs. Finally, first-principles theory of transport properties of DMSs is reviewed. The contribution from FZÚ is mainly in the construction of effective disordered spin models and in the calculation of transport properties.

Schematic illustrating the MRAM device. Each magnetic pillar consists of three layers; two magnetic layers (depending on the magnetization direction of these layers) are separated by a nonmagnetic layer, yielding a structure with a regular GMR functionality. The binary code is stored as the coupling between the two magnetic layers in a pillar and it is read via the magnetoresistive property of the pillar.

1Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan
2Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala, Sweden
3Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Prague 8, Czech Republic
4Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany
5Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala, Sweden
6Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Žižkova 22, CZ-61662 Brno, Czech Republic
7Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala, Sweden
8Institut Néel, MCBT, CNRS, 25 Avenue des Martyrs, BP 166, 38042 Grenoble Cedex 9, France
9Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan
10Computational Materials Science Center, National Institute of Material Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan
11CNR/INFM, Department of Physics, University of L’Aquila, Stanza A1/43, Via Vetoio 10, Coppito, L’Aquila, 67010 Abruzzo, Italy
12Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan
13Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany

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