Optimization of the optical properties of nanostructures through fast numerical approaches

François Thierry; Judikaël Le Rouzo; François Flory; Gérard Berginc; Ludovic Escoubas

doi:10.1117/12.2061042

10 September 2014 Optimization of the optical properties of nanostructures through fast numerical approaches

François Thierry, Judikaël Le Rouzo, François Flory, Gérard Berginc, Ludovic Escoubas

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Proceedings Volume 9161, Nanophotonic Materials XI; 916102 (2014) https://doi.org/10.1117/12.2061042
Event: SPIE NanoScience + Engineering, 2014, San Diego, California, United States

Abstract

We present an improved and efficient numerical method to determine the optical properties of nanostructures starting from the electronic properties. We study the variation of electronic and optical properties induced by confinement effects in semiconductors quantum objects. We solve the time-independent Schrödinger equation with a new formulation of a shooting method under the effective mass approximation. This formulation is adapted to quantum wells, circular cross-section quantum wires and spherical quantum dots. We applied a correction on the mass to take into account the nonparabolicity of the band structure. The correction gives an accuracy comparable to more demanding calculation methods such as 8-bands k•p, tight binding or even semi-empirical pseudopotential methods. Our results remain valid even for low-bandgap materials and sizes as small as 1 nm. The calculation speed of our method allows optimization procedures that give better understanding of experimental results concerning CdS, CdSe, PbS and PbSe spherical quantum dots. We consider extensive data from the literature. We focus on the relations between the electronic structure and absorption and photoluminescence spectra measured on spin-coated PMMA thin-films containing (core)shell nanoparticles.

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François Thierry, Judikaël Le Rouzo, François Flory, Gérard Berginc, and Ludovic Escoubas "Optimization of the optical properties of nanostructures through fast numerical approaches", Proc. SPIE 9161, Nanophotonic Materials XI, 916102 (10 September 2014); https://doi.org/10.1117/12.2061042

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KEYWORDS

Quantum dots

Absorption

Optical properties

Lead

Luminescence

Nanostructures

Quantum wells

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