掺杂过渡金属杂质的III-V半导体中p-d杂化的原子尺度可视化
Atomic scale visualization of the p-d hybridization in III-V semiconductors doped with transition metal impurities
摘要：
半导体主体中过渡金属杂质的p-d杂化是耦合价带电子和定域自旋的机制。我们利用扫描隧道显微镜和光谱学结合密度泛函理论在原子尺度上研究了Cr单杂质与GaAs基质的杂化。结合Cr在GaAs（110）表面的空间态密度映射和带隙态谱，我们给出了Cr在GaAs（110）表面强各向异性波函数的空间扩展和电子结构的详细图像.第一性原理计算可以识别每个状态的电子特征和起源，并表明实验观察到的III-V族半导体中3d金属杂质的主共振峰和具有“滴眼”波瓣的波函数是p-d杂交的直接局部证据。
英文摘要：
p-d hybridization of transition metal impurities in a semiconductor host is the mechanism that couples valence-band electrons and localized spins. We use scanning tunneling microscopy and spectroscopy combined with density functional theory to probe at the atomic scale hybridization of Cr single impurities with GaAs host. Combining spatial density of states mapping and in-gap states spectroscopy of the Cr substituted at the surface of the semiconductor, we give a detailed picture of the spatial extension and the electronic structure of the strongly anisotropic wave function of Cr on GaAs(110). First principles calculations allow to identify electronic character and origin of each states and show that the main resonance peaks and the wave function with "drop-eyes" lobes experimentally observed for 3d metal impurities in III-V semiconductor are direct local evidences of the p-d hybridization.
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