The effect of uniaxial compression on micro- and macroparameters of CdSe quantum dots of different sizes

Authors

DOI:

https://doi.org/10.33910/2687-153X-2025-6-2-104-109

Keywords:

DFT, FDTD, quantum dots, cadmium selenide, wurtzite, zinc blende, electronic properties, Purcell factor

Abstract

In this paper, we analyze and discuss DFT calculations for zinc blende and wurtzite CdSe quantum dots (QDs). We found QDs with a size of 1.6 A to be stable and relaxed using the PBE exchange-correlation functional. The behavior of frontier orbitals (HOMO, LUMO) was examined for an unrelaxed structure to include symmetry and degeneracy. The results of the Purcell factor of the zinc blende and wurtzite QDs with a size of 1.6 A were found to be stable under axial compression. The designed quantum dots demonstrate mechanical and optical stability, their properties retained under uniaxial compression.

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Published

23.06.2025

Issue

Vol. 6 No. 2 (2025)

Section

Physics of Semiconductors

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Copyright (c) 2025 Yulia A. Melchakova, Alexander I. Solomonov

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