Phys. Rev. B 56, 6669–6672 (1997)p-d exchange interaction for 3d transition-metal impurities in II-VI semiconductorsReceived 24 March 1997; published in the issue dated 15 September 1997 We have investigated the exchange interaction between the localized d electrons of 3d transition-metal impurities and the delocalized host band electrons in II-VI semiconductors based on the configuration-interaction scheme. The exchange constant Nβ in the Kondo-type effective Hamiltonian is evaluated from Ti to Ni. For Mn, Fe, and Co, Nβ 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 Nβ depends on the Jahn-Teller distortion. © 1997 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.56.6669
DOI:
10.1103/PhysRevB.56.6669
PACS:
71.55.Gs, 71.70.Gm
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