InSb 电子结构研究:实验与理论

Sameen F. Mohammed, Mahmood A. Mohammed
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引用次数: 0

摘要

本研究展示了铟锑矿(InSb)康普顿散射(Cs)的相关研究结果。实验测量采用了 241Am 和 59.54 keV 伽马射线源康普顿光谱仪。在密度泛函理论(DFT)框架内,利用原子轨道线性组合(LCAO)技术来评估电子动量密度分布的理论值。然后将研究结果与经验数据进行比较。此外,根据铟原子的 5p 态和锑原子的 5p 态,利用离子模型(IO)进行计算,发现铟原子 5p 态的 0.5 个电子可能转移到了锑原子的 5p 态,从而估算出锑化铟(InSb)中的电荷转移情况。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A study Electronic structure of InSb: Experiment and Theory
The current study show the results related to investigating the Compton scattering(Cs) of Indium Antimonite (InSb). 241Am with 59.54 keV Gamm-radiations source Compton  spectrometer is employed for the purpose of experimental measurement. The technique of linear combination of atomic orbitals (LCAO) is utilized within the framework of density functional theory (DFT),is used to assess the theoretical values of distributing the electron momentum density. A comparison was then made between the research findings and empirical data. Additionally, calculations employing the ionic model (IO) based on the 5p state of In and the 5p state of Sb atoms reveal that 0. 5 electrons of the state of 5pIn may have been transferred to the 5p state of Sb atoms in order to estimate the charge transfer in indium antimonite (InSb).
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