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首页> 外文期刊>Journal of Experimental and Theoretical Physics >Solution of Self-Consistent Kohn-Sham and Poisson Equations for Quasi Two-Dimensional Electron Gas in the Accumulation Layer of Semiconductor with Nonparabolic Conduction Band
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Solution of Self-Consistent Kohn-Sham and Poisson Equations for Quasi Two-Dimensional Electron Gas in the Accumulation Layer of Semiconductor with Nonparabolic Conduction Band

机译:具有非参与者传导频段的半导体累积层中的自一致的Kohn-sham和Poisson方程的解泊和泊松方程

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摘要

We generalize the method proposed previously for a self-consistent solution of the system of the Kohn-Sham and Poisson equations to the case of high density of electrons localized near the surface of a semiconductor due to size quantization of the electron spectrum in a potential well in the band banding region. We obtain a completely self-consistent iterative solution for a quasi two-dimensional electron gas in the accumulation layer at the surface of a semiconductor with a degenerate electron gas in the bulk. Both parabolic and non-parabolic energy spectra of conduction electrons are considered. For a parabolic conduction band, we obtain the spatial distributions of the electron density and electrostatic potential, as well as the energies of size-quantized levels and their dependence on the depth of the near-surface potential well. A significant decrease in the density of three-dimensional electrons was revealed in the region where the quasi two-dimensional electron gas occupied the accumulation layer. We calculated the dependencies of the excess electron surface density and the capacitance of the structure on the surface potential. The results are presented in dimensionless form that can be used to semi-quantitatively evaluate the parameters of accumulation layers by the known level of doping and the value of band bending. In the case of the nonparabolic conduction band, due to the finite bandgap width, the spectrum of quasi two-dimensional electron gas is obtained in the two-band Franz-Kane approximation by solving the eigenvalue problem for the new single-band equation of the effective-mass method. The density of states and the effective mass of electrons in the 2D subbands is found to increase linearly with energy. We have derived the expression that analytically approximates the calculated energy spectrum. The position of levels, the dispersion of energy spectrum, and the dependence of effective mass on energy, which were found for the size-quantized sub-bands, are in agreement with the published results for characteristics of quasi two-dimensional electrons atn-InAs surface that were directly measured by angle resolved photoelectron spectroscopy and magnetotunneling spectroscopy. Conditions are considered when the nonparabolicity of the conduction band enables quasi two-dimensional electrons to absorb the normally incident radiation due to intersubband transitions.
机译:我们将之前提出的用于Kohn-Sham和Poisson方程组自洽解的方法推广到由于带带区势阱中电子谱的尺寸量子化而在半导体表面附近局部化高密度电子的情况。我们得到了半导体表面积累层中准二维电子气的一个完全自洽迭代解,其中体中含有简并电子气。考虑了传导电子的抛物线能谱和非抛物线能谱。对于抛物线导带,我们得到了电子密度和静电势的空间分布,以及尺寸量子化能级的能量及其与近表面势阱深度的关系。在准二维电子气占据聚集层的区域,三维电子密度显著降低。我们计算了过剩电子表面密度和结构电容对表面电势的依赖关系。结果以无量纲形式呈现,可用于通过已知掺杂水平和带弯曲值半定量地评估累积层的参数。在非抛物导带的情况下,由于有限的带隙宽度,通过求解有效质量法中新的单能带方程的本征值问题,在两带Franz-Kane近似下获得了准二维电子气的光谱。发现二维子带中的态密度和电子有效质量随能量线性增加。我们推导出了解析近似于计算出的能谱的表达式。量子化子带的能级位置、能谱色散和有效质量对能量的依赖性,与已发表的用角分辨光电子能谱和磁隧穿谱直接测量InAs表面准二维电子特性的结果一致。当导带的非抛物性使得准二维电子能够吸收由于子带间跃迁而正常入射的辐射时,考虑了各种条件。

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