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首页> 外文期刊>Physica, B. Condensed Matter >First-principles calculations of optical and magneto-optical properties of Ga1-xMnxAs and MnAs
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First-principles calculations of optical and magneto-optical properties of Ga1-xMnxAs and MnAs

机译:Ga1-xMnxAs和MnAs光学和磁光特性的第一性原理计算

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摘要

We present a first-principles density-functional investigation of the optical and magneto-optical properties of MnGa1-xAs (with x = 0,0.0625, and 1) systems. Our calculated dielectric function, magneto-optical Kerr effect, and magnetic circular dichroism spectra agree reasonably well with existing experimental results. A comparison of the optical and magneto-optical spectra of MnAs in the naturally occurring hexagonal phase and in the cubic zinc-blende structure is made. The differences in the spectral properties of these two phases could aid detection of MnAs in the zinc-blende structure.
机译:我们提出了MnGa1-xAs(x = 0、0.0625和1)系统的光学和磁光特性的第一性原理密度泛函研究。我们计算出的介电函数,磁光克尔效应和圆形圆二色性光谱与现有实验结果相当吻合。比较了天然存在的六方相和立方锌闪锌矿结构中MnAs的光谱和磁光光谱。这两个相的光谱特性的差异可以帮助检测闪锌矿结构中的MnAs。

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