杂质对黄铜矿AgInSe2纳米电极binding energy、抗磁化率和光电离截面的影响
Impurity effects on binding energy, diamagnetic susceptibility and photoionization cross-section of chalcopyrite AgInSe2 Nanotadpole
摘要：
近年来，黄铜矿半导体纳米结构由于其无毒和宽的直接带隙而引起人们的兴趣。同样，具有非平凡几何形状的结构由于其电子、光学和磁性而特别令人感兴趣。在目前的文章中，有限元方法结合有效质量近似，理论上研究了黄铜矿AgInSe2纳米棒的性质，在存在偏离中心的杂质。纳米电极的形态使其具有优异的流体动力学特性，是广泛应用的理想选择。得到了不同杂质位置和能级的几率密度。结果表明电子的行为与杂质的位置和波函数的取向有很强的依赖性。得到了结合能与纳米电极尺寸和杂质位置的关系。计算了抗磁化率与杂质位置的关系。对基态、前两个激发态和前二十个激发态的光电离截面和振荡强度进行了广泛的研究。
英文摘要：
Recently the interest in chalcopyrite semiconductor nanostructures has increased because of their non-toxicity and their wide direct bandgap. Likewise, structures with non-trivial geometry are particularly interesting because of their electronic, optical, and magnetic properties. In the current article, the finite element method was used in conjunction with the effective mass approximation to theoretically investigate the properties of a chalcopyrite AgInSe2 nanotadpole in the presence of an off-center impurity. The morphology of the nanotadpole gives it excellent hydrodynamic properties and is ideal for a wide range of applications. The probability densities for various impurity positions and energy levels were obtained. The results suggested a strong dependence of the behavior of the electron on the impurity positions and the orientation of the wave function. The binding energy's dependence on the nanotadpole's size and the impurity position was obtained. The dependence of the diamagnetic susceptibility on the impurity position was calculated. An extensive investigation of the photoionization cross-section and the oscillatory strength was carried out for the ground and the first two excited states as the initial states and the first twenty excited states as the final states.
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