p-d exchange interaction for 3d transition-metal impurities in II-VI semiconductors

被引：39

作者：

Mizokawa, T

Fujimori, A

机构：

[1] Department of Physics, University of Tokyo, Bunkyo-ku, Hongo 7-3-1

来源：

PHYSICAL REVIEW B | 1997年 / 56卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.56.6669

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have investigated the exchange interaction between the localized d electrons of 3d transition-metal impurities and the delocalized host band electrons in LI-VI semiconductors based on the configuration-interaction scheme. The exchange constant N beta in the Kondo-type effective Hamiltonian is evaluated from Ti to Ni. For Mn, Fe, and Co, N beta is negative (antiferromagnetic), and is in good agreement with experimental values. The exchange coupling of the Ti impurity is predicted to be positive (ferromagnetic) due to Hund's coupling. For V, Cr, and Ni, in which orbital degrees of freedom is important, the sign of N beta depends on the Jahn-Teller distortion.

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页码：6669 / 6672

页数：4

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