无序和局域化对$\mbox{Ga}_{1-x}\mbox{Mn}_x\mbox{As}$局域光谱和红外光学性质的影响
Disorder and localization effects on the local spectroscopic and infrared-optical properties of $\mbox{Ga}_{1-x}\mbox{Mn}_x\mbox{As}$
摘要：
数值研究了无序和局域化效应对$\mbox{Ga}_{1-x}\mbox{Mn}_x\mbox{As}$局域光谱特性和红外光学性质的影响。我们采用精确对角化超原胞模拟方法，将能带结构和无序效应放在同一水平上处理。这种方法准确地描述了低掺杂极限，并给出了一个清晰的图片过渡到更高的掺杂，它捕捉到的本地化效应无法访问的其他常用的理论方法。我们的模拟捕捉到丰富的中间隙局域态扫描隧道显微镜研究中观察到的，并再现红外光学吸收实验观察到的功能。我们显示了明确的证据，一个无序的价带模型的金属样品中，（i）有没有杂质带分离的价带，（ii）的障碍往往本地化和拉状态附近的价带的顶部进入间隙区域，（iii）费米能位于远离迁移率边缘的离域区的深处。我们通过可视化准粒子的概率分布并将其与各自的参与率联系起来，确定了能隙区域深处的局域态。对红外吸收数据的分析表明，它与费米能级处的态的性质没有直接关系。
英文摘要：
We study numerically the influence of disorder and localization effects on the local spectroscopic characteristics and infrared optical properties of $\mbox{Ga}_{1-x}\mbox{Mn}_x\mbox{As}$. We treat the band structure and disorder effects at an equal level by using exact diagonalization supercell simulation method. This method accurately describes the low doping limit and gives a clear picture of the transition to higher dopings, which captures the localization effects inaccessible to other theoretical methods commonly used. Our simulations capture the rich mid-gap localized states observed in scanning tunneling microscopy studies and reproduce the observed features of the infrared optical absorption experiments. We show clear evidence of a disordered valence band model for metallic samples in which (i) there is no impurity band detached from the valence band, (ii) the disorder tends to localize and pull states near the top of the valence band into the gap region, and (iii) the Fermi energy is located deep in the delocalized region away from the mobility edge. We identify localized states deep in the gap region by visualizing the probability distribution of the quasiparticles and connecting it to their respective participation ratios. The analysis of the infrared-optical absorption data indicates that it does not have a direct relation to the nature of the states at the Fermi energy.
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