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Atomistic Tight-Binding Study of Core/Shell Nanocrystals

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Progress in Nanoscale and Low-Dimensional Materials and Devices

Part of the book series: Topics in Applied Physics ((TAP,volume 144))

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Abstract

Progressive technologies in the synthetic chemistry of semiconductor nanostructures have made it possible to access high quality semiconductor nanostructures with precise size, shape and composition. Colloidal core/shell nanocrystals are composed of a core made from one material terminated by a shell of another material. Because of the improved photoluminescence quantum yields, high photostability and size-tunable emission properties, core/shell nanocrystals are tremendously attractive for the active applications. The purpose of this chapter is to present the atomistic tight-binding theory to study the electronic structures and optical properties of core/shell nanocrystals with the purpose to evidently understand the significance of core and growth shell. Owing to the heterostructure of core/shell nanocrystal, the valence force field method is utilized to optimize the structural geometry. To analyze the electronic structures and optical properties of the core/shell nanocrystals with the corresponding structural parameters, some of the calculations are demonstrated. Finally, all-inclusive information based on atomistic tight-binding theory successfully conveys the natural behaviors of core/shell nanocrystals and carries a guideline for the design of their electronic and optical properties before applying to the novel electronic nanodevices.

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Authors and Affiliations

  1. Faculty of Science, Department of Physics, Ubon Ratchathani University, 85 Sathollmark Rd., Warinchamrab, Ubon Ratchathani, 34190, Thailand

    Worasak Sukkabot

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  1. Department of Physics Engineering, Faculty of Science and Letters, Istanbul Technical University, Maslak, Istanbul, Turkey

    Hilmi Ünlü

  2. Department of Physics and Engineering Physics, Stevens Institute of Technology, Hoboken, NJ, USA

    Norman J. M. Horing

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Sukkabot, W. (2022). Atomistic Tight-Binding Study of Core/Shell Nanocrystals. In: Ünlü, H., Horing, N.J.M. (eds) Progress in Nanoscale and Low-Dimensional Materials and Devices. Topics in Applied Physics, vol 144. Springer, Cham. https://doi.org/10.1007/978-3-030-93460-6_23

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