关于尺寸和介电约束的理论见解:揭示具有氧化物界面的球形多层量子点中有效复介电函数的实部和虚部

IF 2.7 Q2 PHYSICS, CONDENSED MATTER
K. Hasanirokh , A. Naifar
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引用次数: 0

摘要

本研究采用定量数值方法,仔细研究了埋入两种氧化物中的球形多层量子点 CdSe/ZnSe/CdSe/ZnS(SMLQD)及其倒置构型 ZnS/CdSe/ZnSe/CdSe(ISMLQD)的尺寸和介电约束后果对其电子和光学特性的综合影响:HfO2和SiO2。利用有效质量近似(EMA)和密度矩阵方法(DMA),通过求解球坐标中的薛定谔方程,得到了衍生的量子化电子能态及其相关波函数。根据内核半径、QDs 数量密度和入射光子强度的不同值,得出了偶极过渡元素、有效复介质函数(ECDF)的实部和虚部及其线性、非线性和总对应波函数。此外,我们还对电子概率分布进行了具体分析,以便更清楚地了解潜在的物理因素。我们的研究结果表明,这些被提及的因素对计算系数有显著影响。研究揭示了在系统/氧化物界面发生的介电失配在改变电子结构方面起着至关重要的作用,并对线性和三阶非线性成分产生了重大影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Theoretical insights into size and dielectric confinement: Unraveling real and imaginary parts of the effective complex dielectric function in spherical multilayered quantum dots with oxide interfaces

A quantitative numerical exploration is conducted to scrutinize the combined effects of size and dielectric confinement consequences on the electronic and optical characteristics of spherical multilayered quantum dot CdSe/ZnS/CdSe/ZnS (SMLQD) and its inverted configuration ZnS/CdSe/ZnS/CdSe (ISMLQD) buried into two oxides: HfO2 and SiO2. By employing the effective mass approximation (EMA) and the density matrix approach (DMA), the derived quantized electron energy states and their associated wave functions were obtained by solving the Schrödinger equation in a spherical coordinates. The dipole transition element, both real and imaginary parts of the effective complex dielectric function (ECDF) as well as its linear, nonlinear and total counterparts are brought out for various values of inner core radii, number density of QDs and incident photon intensity. In addition, a specific analysis of electron probability distributions is provided to gain a clearer understanding of the underlying physical factors. Our findings point to a notable influence of these mentionned factors on the computed coefficients. The study unveils that the dielectric mismatch occurring at the system/oxide interfaces plays a crucial role in modifying the electronic structure and a substantial impact on both linear and third-order nonlinear components is witnessed.

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CiteScore
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