摘要
The electronic and magnetic properties as well as the spatial charge distribution of single Mn impurity in Ⅲ-Ⅴ diluted magnetic semiconductors are obtained when the degeneracy of the p orbits contributed from the four nearest-neighbouring As（N） atoms is taken into account. We show that in the ground state, the Mn spin is strongly antiferromagnetically coupled to the surrounding As（N） atoms when the p - d hybridization Vpd is large and both the hole level Ev and the impurity level Ed are close to the Fermi energy. The spatial charge distribution of the Mn acceptor in the （110） plane is non-spherically symmetric, in good agreement with the recent STM images.
The electronic and magnetic properties as well as the spatial charge distribution of single Mn impurity in Ⅲ-Ⅴ diluted magnetic semiconductors are obtained when the degeneracy of the p orbits contributed from the four nearest-neighbouring As（N） atoms is taken into account. We show that in the ground state, the Mn spin is strongly antiferromagnetically coupled to the surrounding As（N） atoms when the p - d hybridization Vpd is large and both the hole level Ev and the impurity level Ed are close to the Fermi energy. The spatial charge distribution of the Mn acceptor in the （110） plane is non-spherically symmetric, in good agreement with the recent STM images.
基金
Supported by the National Natural Science Foundation of China under Grant No 90303013, the 0ne-Hundred Persons Project of Chinese Academy of Sciences, and the Knowledge Innovation Project of Chinese Academy of Sciences under Grant No KJCX2- SW-W11. Authors thank Professor H. Q. Lin and the hospitality of the Department of Physics, the Chinese University of Hong Kong. Part of numerical calculation was performed in CCS, HIPS.
