外加电场对石墨烯上球形半导体量子点化学吸附作用的理论研究

Haider Fadel, Marwa Abd-AlHussien
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摘要

在这项研究中,我们修改了原子化学吸附的安德森-纽恩斯模型,使其适用于球形半导体量子点在单层纯净完美石墨烯上的化学吸附。我们使用数学表达式计算了量子点两个水平的占位数与法向距离和外部电场的函数关系。考虑到图像偏移的影响,我们使用了其他化学吸附函数的适当公式,以及仅作为距离函数的杂化能公式。量子点被认为是球形的,选择了石墨烯层上的顶部吸附类型,还为相关能 U 取了一个固定值,使其与自旋无关且不依赖于距离。在室温 T=300 K 时,通过稳定所有参数并通过正负两个方向单独改变电场强度,计算了占据数及其相应的能级。负电场对石墨烯上的量子点化学吸附更有效。
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Theoretical Study of External Electric Field Effect on the Chemisorption of a Spherical Semiconducting Quantum-dot on Graphene
In This study, we modified the Anderson-Newns model for atomic chemisorption to be suitable for the chemisorption of a spherical semiconducting quantum-dot on a monolayer pure perfect graphene. A mathematical expression was used to calculate the occupation numbers for the two levels of the quantum-dot as a function of the normal distance and the external electric field. Appropriate formulas for other chemisorption functions were  used by taking into our account the effect of image shift, and a formula for hybridization energy as a function of distance only. The quantum-dot was considered a spherical  shape, chooses the type of on-top adsorption on the graphene layer, also taken a fixed value for the correlation energy U to be spin independent and not dependent on distance. At room temperature T=300 K, the occupation numbers and their corresponding energy levels were calculated by stabilizing all the parameters  and varying the strength of electric field individually by both positive and negative directions. The contribution of the negative electric field was more effective on quantum-dot chemisorbed on graphene.
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