Curie temperatures of diluted magnetic semiconductors calculated from first principles

K. Sato; P. H. Dederics; H. Katayama-Yoshida

doi:10.1209/epl/i2003-00191-8

All issues

Volume 61 / No 3 (February 2003)

Europhys. Lett., 61 3 (2003) 403-408

Abstract

Issue		Europhys. Lett. Volume 61, Number 3, February 2003


Page(s)		403 - 408
Section		Condensed matter: electronic structure, electrical, magnetic, and optical properties
DOI		https://doi.org/10.1209/epl/i2003-00191-8
Published online		01 January 2003

Europhys. Lett., 61 (3), pp. 403-408 (2003)

Curie temperatures of $\chem{III\tx{-}V}$ diluted magnetic semiconductors calculated from first principles

K. Sato¹^,2, P. H. Dederics¹ and H. Katayama-Yoshida²

¹ Institut für Festkörperforschung, Forschungszentrum Jülich D-52425 Jülich, Germany
² Department of Condensed Matter Physics The Institute of Scientific and Industrial Research (ISIR), Osaka University 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan

Received: 12 August 2002
Accepted: 25 November 2002

Abstract

Curie temperatures of the diluted magnetic semiconductors $\chem{(Ga, Mn)As}$ , ( $\chem{Ga}$ , $\chem{Mn}$ ) $\chem{N}$ , $\chem{(Ga, Cr)As}$ and $\chem{(Ga, Cr)N}$ are evaluated from first principles. The electronic structure is calculated in the local spin density approximation by using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation to describe the substitutional and spin disorder. From the total energy differences between the ferromagnetic state and the spin-glass state, realistic estimations of Curie temperatures are achieved by using a mapping on the Heisenberg model in the mean-field approximation. Effects of additional carrier doping treatments are also investigated. Very large Curie temperatures are obtained, lying above room temperature for $\chem{(Ga, Mn)N}$ , $\chem{(Ga, Cr)As}$ and $\chem{(Ga, Cr)N}$ . Upon hole doping the Curie temperature of $\chem{(Ga, Mn)N}$ further increases, while $\chem{(Ga, Mn)As}$ shows a plateau behavior.

PACS: 75.50.Pp – Magnetic semiconductors

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