Theoretical prediction of curie temperature in (Zn,Cr)S, (Zn,Cr)Se and (Zn,Cr)Te by first principles calculations

被引：64

作者：

Fukushima, T

Sato, K

Katayama-Yoshida, H

Dederichs, PH

机构：

[1] Osaka Univ, ISIR, Dept Condensed Matter Phys, Ibaraki, Osaka 5670047, Japan

[2] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS | 2004年 / 43卷 / 11A期

关键词：

ab initio calculation; dilute magnetic semiconductor; ferromagnetism; Curie temperature; zinc sulfur; zinc selenide; zinc telluride; exchange coupling constant; Monte Carlo simulation;

D O I：

10.1143/JJAP.43.L1416

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic structure and the magnetic properties of (Zn,Cr)S, (Zn,Cr)Se and (Zn,Cr)Te are calculated by using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation (KKR-CPA) within the local density approximation. Curie temperatures are calculated by the mean field approximation (MFA) and by Monte Carlo simulation. It is found that the MFA strongly overestimates the Curie temperatures for low concentrations due to shortrangeness of interactions in (Zn,Cr)S, (Zn,Cr)Se and (Zn,Cr)Te. The Curie temperatures of (Zn,Cr)Te calculated by Monte Carlo simulation agree very well with recent experimental values.

引用

页码：L1416 / L1418

页数：3

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