Computational Theories Used in the Study of Quantum Dots

Computational Theories Used in the Study of Quantum Dots

N. Mhlanga, T.A. Ntho

Quantum dots (QDs) are intriguing semiconductors with remarkable quantum confinement, optical and electrical properties which avails for various industrial and commercial applications to revolutionize our world. However, their optimal utilization hinges on the understanding of their properties and computational theories are imperative to explore both existing and new QDs properties. This chapter gives a comprehensive analysis of molecular mechanics and quantum mechanics computational approaches used in the study of the QDs properties.

Keywords
Quantum Dots, Density Functional Theory, Effective Mass Approximation, Schrodinger, Time-Dependent Density Functional Theory

Published online 2/1/2020, 32 pages

Citation: N. Mhlanga, T.A. Ntho, Computational Theories Used in the Study of Quantum Dots, Materials Research Foundations, Vol. 96, pp 113-144, 2021

DOI: https://doi.org/10.21741/9781644901250-5

Part of the book on Quantum Dots

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