TY - JOUR
T1 - Exchange interaction for transition-metal impurities in II-VI semiconductors
AU - Mizokawa, T.
AU - Fujimori, A.
PY - 1997
Y1 - 1997
N2 - We have investigated the exchange interaction between the localized (Formula presented) electrons of (Formula presented) transition-metal impurities and the delocalized host band electrons in II-VI semiconductors based on the configuration-interaction scheme. The exchange constant (Formula presented) in the Kondo-type effective Hamiltonian is evaluated from Ti to Ni. For Mn, Fe, and Co, (Formula presented) 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 (Formula presented) depends on the Jahn-Teller distortion.
AB - We have investigated the exchange interaction between the localized (Formula presented) electrons of (Formula presented) transition-metal impurities and the delocalized host band electrons in II-VI semiconductors based on the configuration-interaction scheme. The exchange constant (Formula presented) in the Kondo-type effective Hamiltonian is evaluated from Ti to Ni. For Mn, Fe, and Co, (Formula presented) 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 (Formula presented) depends on the Jahn-Teller distortion.
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U2 - 10.1103/PhysRevB.56.6669
DO - 10.1103/PhysRevB.56.6669
M3 - Article
AN - SCOPUS:0000883583
VL - 56
SP - 6669
EP - 6672
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 11
ER -