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arXiv 0707.3079cond-mat.mtrl-scicond-mat.dis-nn
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稀磁半导体中的有序效应

Ordering effects in diluted magnetic semiconductors

Josef Kudrnovský, V. Drchal, Georges Bouzerar, Richard Bouzerar

摘要:

本文综述了近年来发展起来的描述稀磁半导体电子和磁性的两步法。在第一步中,我们构建,最先进的第一性原理电子结构计算的基础上,有效的伊辛和海森堡哈密顿量,分别描述,合金相稳定性和系统中的磁激发。在第二步中,我们用统计物理的各种方法分析了这些有效哈密顿量的性质。作为一个案例研究,原型稀磁半导体Ga_{1-x} Mn_{x} As进行了详细的研究。我们确定,除其他外,在这个系统中的集群的可能性,形成各种补偿缺陷的能量,并估计短期的序参量描述在一个系统中的订购趋势。另一方面,通过使用最近发展的本地随机相位近似方法,我们评估系统的居里温度,并证明其强烈的依赖于样品制备。我们还强调适当的随机性的磁性杂质的位置的相关性,一个可靠的估计系统的临界温度。最后,我们将计算的居里温度与现有的实验数据进行比较,并简要地提到与其他理论方法的关系。

英文摘要:

We review recently developed two-step approach for description of electronic and magnetic properties of a new class of materials, the diluted magnetic semiconductors. In the first step we construct, on the basis of the state-of-the-art first-principles electronic structure calculations, the effective Ising and Heisenberg Hamiltonians which describe, respectively, the alloy phase stability and the magnetic excitations in the system. In the second step, we analyze properties of these effective Hamiltonians by various methods of statistical physics. As a case study, the prototypical diluted magnetic semiconductor Ga_{1-x}Mn_{x}As is studied in detail. We determine, among others, a possibility for clustering in this system, formation energies of various compensating defects, and estimate short-range order parameters describing ordering tendencies in a system. On the other hand, by using recently developed local random-phase approximation approach, we evaluate the system Curie temperature and demonstrate its strong dependence on the sample preparation. We also emphasize the relevance of proper inclusion of the randomness in positions of magnetic impurities for a reliable estimate of the system critical temperature. Finally, we compare calculated Curie temperatures with available experimental data and briefly mention relation to other theoretical approaches.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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