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Ab initio study of Curie temperatures of diluted III-V magnetic semiconductors

机译:从头算研究稀释的III-V磁性的居里温度   半导体

摘要

The electronic structure of diluted (Ga,Mn)As magnetic semiconductors in thepresence of As-antisites and magnetic disorder is studied within the frameworkof the local spin density approximation. Both the chemical and magneticdisorders are treated using the coherent potential approximation. A groundstate with partial disorder in the local moments and with a reduced totalmagnetic moment appears in the presence of As-antisites. We first estimate theCurie temperature T_c from total energy differences between the ferromagneticand the paramagnetic state by identifying these with the corresponding energydifference in a classical Heisenberg model. A more systematic approach withinthe framework of the mean-field approximation to estimate T_c consists in anevaluation of the effective exchange fields acting on the magnetic moment at agiven site. The presence of As-antisites strongly reduces the Curietemperature. The results indicate that the effect of impurities on theelectronic structure cannot be neglected and influences the Curie temperaturenon-negligibly. A comparison of the calculated Curie temperatures to existingexperimental data indicates an increase of the donor concentration with theincrease of the Mn-content.
机译:在局部自旋密度近似的框架内,研究了存在As-反位和磁性无序的稀(Ga,Mn)As磁性半导体的电子结构。使用相干势近似处理化学和磁性疾病。在存在As反位点的情况下,在局部矩中出现局部无序且总磁矩减小的基态。我们首先通过在经典的海森堡模型中通过对应的能量差来识别铁磁状态和顺磁状态之间的总能量差来估计居里温度T_c。在平均场近似框架内估计T_c的一种更系统的方法是对作用在给定位置的磁矩的有效交换场进行评估。 As-反位点的存在会大大降低居里温度。结果表明,杂质对电子结构的影响不可忽略,对居里温度的影响不可忽略。计算出的居里温度与现有实验数据的比较表明,随着锰含量的增加,供体浓度增加。

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