Pseudopotential study of electronic and optical properties of InAs semiconductor nanostructures

Theerapong Puangmali, M. Califano, P. Harrison
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Abstract

We present an atomistic pseudopotential study of the electronic and optical properties of InAs quantum dots and nanorods as a function of increasing diameter and aspect ratio. As the aspect ratio increases, energy levels cross in both conduction and valence bands, reflecting their different dependence on confinement along a specific direction. Unlike in CdSe and InP quantum rods, however, the position of the crossover between highest occupied molecular orbitals with different symmetries is found to be size-dependent and the value of the aspect ratio at the crossing to increase with the rod diameter. The level crossings at the top of the valence band are crucial to explain the evolution with elongation of all optical properties in these systems. A common monotonic behaviour of band gap, Stokes shift, degree of linear polarization and radiative lifetime, is closely linked to the variation with aspect ratio of the electronic structure of the nanocrystal valence band edge.
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InAs半导体纳米结构的电子和光学性质的赝势研究
我们提出了InAs量子点和纳米棒的电子和光学性质的原子赝势研究,作为增加直径和纵横比的函数。随着长径比的增加,能级在传导带和价带上交叉,反映了它们沿特定方向对约束的不同依赖。然而,与CdSe和InP量子棒不同的是,具有不同对称性的最高占位分子轨道之间的交叉位置与尺寸有关,并且交叉处的纵横比值随着棒直径的增加而增加。价带顶部的水平交叉对于解释这些系统中所有光学性质的演化与伸长是至关重要的。带隙、斯托克斯位移、线极化度和辐射寿命等常见的单调行为与纳米晶体价带边电子结构随宽高比的变化密切相关。
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