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Ab initio materials design and Curie temperature of GaN-based ferromagnetic semiconductors

机译:AB初始材料设计和静脉温度的GaN系铁磁半导体

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Curie temperatures (T_C) of the diluted magnetic semiconductors (DMS) of (Ga,Mn)N and (Ga,Cr)N are evaluated from first-principles with the local spin density approximation by using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation (KKR-CPA). The ferromagnetic states are stable in V- and Cr-doped GaN, but Fe-, Co- and Ni-doped GaN show the spin-glass states. In Mn-doped GaN, T_C depends on the concentration of Mn due to the competition between the ferromagnetic double-exchange and antiferromagnetic super-exchange interactions. High-T_C is expected in those systems if 5 at% concentrations of V, Cr, and Mn in GaN are doped. For (Ga,V)N and acceptor doped (Ga, Cr)N, ferromagnetic super-exchange interaction is responsible for the ferromagnetism, on the other hand, the ferromagnetic double-exchange interaction is dominant for high-
机译:通过使用Korringa-Kohn-Rostoker方法与局部自旋密度近似来评估(Ga,Mn)n和(Ga,Cr)n和(Ga,Cr)n的稀释磁半导体(DMS)的静脉温度(t_c)。相干电位近似(KKR-CPA)。铁磁性态在V-和Cr-掺杂GaN中是稳定的,但Fe-,Co-and Ni-掺杂GaN显示出旋转玻璃状态。在Mn-Doped GaN中,T_C取决于MN的浓度,因为铁磁双交换和反铁磁超交换相互作用之间的竞争。如果在GaN中的5%浓度为V,Cr和Mn,则在那些系统中预期高T_C。掺杂。对于(Ga,V)n和受体掺杂(Ga,Cr)n,铁磁超交换相互作用负责铁磁性,另一方面,铁磁双交换相互作用是高的 -

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