Influence of dimensionality and stoichiometry in the electronic structure of InAs quantum dot solids

F. Gómez-Campos, E. S. Skibinsky-Gitlin, S. Rodríguez-Bolívar, M. Califano, Panagiotis Rodosthenous, J. A. López-Villanueva, J. E. Carceller
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Abstract

Periodic quantum dot solids are new materials in which quantum dots are periodically distributed in space. The properties of these materials are explored to find applications in new photovoltaic devices. In order to shed light on these future applications, investigating carrier transport and light absorption are of paramount importance. The first step to investigate these systems is to compute their electronic structures. In this work we present the electronic structure of one- (1D), two- (2D) and three-dimensional (3D) quantum dot solids made of 12 Å radius InAs quantum dots. Two different stoichiometries are studied. In the first case (system A) the quantum dot has an In atom in its center and the interdot contact surfaces along the (111) directions in the arrays are mainly arsenic atoms. In the second case (system B) the atomic positions are inverted, and therefore the contact surfaces between neighbours are mainly indium atoms. The influence of dimensionality and stoichiometry in these quantum dot solids are discussed.
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尺寸和化学计量学对InAs量子点固体电子结构的影响
周期性量子点固体是量子点在空间中周期性分布的新型材料。探索这些材料的性质,以寻找新的光伏器件的应用。为了阐明这些未来的应用,研究载流子输运和光吸收是至关重要的。研究这些系统的第一步是计算它们的电子结构。在这项工作中,我们提出了由12个Å半径的InAs量子点组成的一(1D),二(2D)和三维(3D)量子点固体的电子结构。研究了两种不同的化学计量。在第一种情况(系统A)中,量子点的中心有一个In原子,阵列中沿(111)方向的点间接触面主要是砷原子。在第二种情况下(系统B),原子位置是颠倒的,因此相邻之间的接触面主要是铟原子。讨论了量纲和化学计量对这些量子点固体的影响。
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