稀磁半导体中杂质到价带的跃迁：受主库仑吸引的作用
The Crossover from Impurity to Valence Band in Diluted Magnetic Semiconductors: The Role of the Coulomb Attraction by Acceptor
摘要：
在考虑载流子与磁性杂质之间的库仑吸引力的情况下，系统地研究了稀磁半导体（DMS）模型中杂质带（IB）与价带（VB）区之间的交叉与磁性杂质浓度的关系.采用动力学平均场论（DMFT）和蒙特卡罗（MC）方法计算了自旋-费米子模型应用于DMS的态密度和铁磁转变温度。它示出的是，除了一个方阱样的吸引力的潜力可以产生一个IB在足够小的Mn掺杂$x$的值的$p-d$交换$J$是不够强，以产生一个由自己。我们观察到当$x >= x_c$时IB与VB合并，其中$x_c$是$J$和库仑吸引强度$V$的函数。使用MC计算，我们证明了库仑吸引力的范围起着重要的作用。虽然已经在先前的数值模拟中使用的现场吸引力对于$x$的所有值有效地重新归一化$J$，但是非物理结果，最近邻范围吸引力仅在非常低的掺杂下重新归一化$J$，即，直到束缚空穴波函数开始重叠。因此，我们的研究结果表明，库仑吸引力可以被忽略，以研究Mn掺杂的GaSb，GaAs和GaP在相关的掺杂制度，但它应该包括在Mn掺杂的GAN的情况下，预计将在IB制度。
英文摘要：
The crossover between an impurity band (IB) and a valence band (VB) regime as a function of the magnetic impurity concentration in models for diluted magnetic semiconductors (DMS) is studied systematically by taking into consideration the Coulomb attraction between the carriers and the magnetic impurities. The density of states and the ferromagnetic transition temperature of a Spin-Fermion model applied to DMS are evaluated using Dynamical Mean-Field Theory (DMFT) and Monte Carlo (MC) calculations. It is shown that the addition of a square-well-like attractive potential can generate an IB at small enough Mn doping $x$ for values of the $p-d$ exchange $J$ that are not strong enough to generate one by themselves. We observe that the IB merges with the VB when $x >= x_c$ where $x_c$ is a function of $J$ and the Coulomb attraction strength $V$. Using MC calculations, we demonstrate that the range of the Coulomb attraction plays an important role. While the on-site attraction, that has been used in previous numerical simulations, effectively renormalizes $J$ for all values of $x$, an unphysical result, a nearest-neighbor range attraction renormalizes $J$ only at very low dopings, i.e., until the bound holes wave functions start to overlap. Thus, our results indicate that the Coulomb attraction can be neglected to study Mn doped GaSb, GaAs, and GaP in the relevant doping regimes, but it should be included in the case of Mn doped GaN that is expected to be in the IB regime.
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