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Jpn. J. Appl. Phys. 43 (2004) pp. L834-L837  |Previous Article| |Next Article|  |Table of Contents|
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Letter

Material Design of Transparent, Half-Metallic and Room-Temperature Ferromagnets in I₂-VI Semiconductors with 4d Transition Metal Element

Masayoshi Seike, Kazunori Sato, Akira Yanase and Hiroshi Katayama-Yoshida

The Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan

(Received January 6, 2004; revised March 26, 2004; accepted April 19, 2004; published June 11, 2004)

A new class of 4d transition-metal-doped anti-CaF₂ I₂-VI diluted magnetic semiconductors (DMSs) is presented based on first-principles calculations. We have systematically investigated the stability of the ferromagnetic state in K₂O-, K₂S-, K₂Se-, K₂Te-, Li₂S-, Na₂S- and Rb₂S-based DMSs. Anti-CaF₂ I₂-VI compounds have a large lattice spacing due to their large ionic radius of cations and many of them are wide-bandgap semiconductors. From the total energy differences between the ferromagnetic state and the spin-glass state, ferromagnetic solutions are derived and it is found that Zr-, Tc- and Ru-doped K₂O, Zr-, Nb-, Tc- and Ru-doped K₂S, and Zr-, Nb-, and Ru-doped K₂Se, K₂Te, and Rb₂S are good candidates for transparent, half-metallic and room-temperature ferromagnetic DMSs with a large magnetoptical effect.

URL: http://jjap.jsap.jp/link?JJAP/43/L834/
DOI: 10.1143/JJAP.43.L834

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