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首页> 外文期刊>Journal of surface investigation: x-ray, synchrotron and neutron techniques >The Dependence of Electronic Structure and Optical Absorption Coefficient on the Size and Mass of the Wurtzite ZnS Quantum Dot
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The Dependence of Electronic Structure and Optical Absorption Coefficient on the Size and Mass of the Wurtzite ZnS Quantum Dot

机译:电子结构的依赖性和光学吸收系数对紫立岩ZnS量子点的尺寸和质量

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摘要

The density functional theory is used to analyze the electronic band structures of various atoms and molecules. The effect of quantum confinement on the electronic and exciton band structures is taken into account, which optical properties are insensitive to light polarization. The effective mass approximation, the valance band degeneracy, and the reduced effective mass in the parallel and perpendicular directions of the electrons and holes are also taken into account. The dispersion relation, quantum confinement effects, joint density of states, refractive index, and absorption coefficient are calculated and discussed, which gives good agreement with the theoretical calculations and experimental measurements.
机译:密度泛函理论用于分析各种原子和分子的电子能带结构。考虑了量子限制对电子和激子能带结构的影响,其光学性质对光偏振不敏感。有效质量近似、价带简并度以及电子和空穴在平行和垂直方向上的约化有效质量也被考虑在内。计算和讨论了色散关系、量子限制效应、联合态密度、折射率和吸收系数,与理论计算和实验测量结果吻合良好。

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