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Lattice Thermal Transport of BAs, CdSe, CdTe, and GaAs: A First Principles Study.

Lattice Thermal Transport of BAs, CdSe, CdTe, and GaAs: A First Principles Study.

Authors :
Akil, Nurul Ahad
Guo, San-Dong
Source :
Journal of Electronic Materials; May2023, Vol. 52 Issue 5, p3401-3412, 12p
Publication Year :
2023

Abstract

This article presents a demonstration of the significant impact that the atomic masses of constituent atoms and the isotopically pure and heavy property of a constituent atom have on the thermal conductivity in the zinc blende crystal structure of semiconductor materials. We take boron arsenide and gallium arsenide from the semiconductors of groups (iii - v) as well as cadmium selenide and cadmium telluride from the semiconductors of groups (ii - vi) . Thermal conductivity is acquired by using the first-principles calculation technique and the Boltzmann transport equation with the relaxation time approximation. The corresponding thermal conductivity of CdSe and CdTe are 7.58 Wm - 1 K - 1 and 5.27 Wm - 1 K - 1 at room temperature (300 K) , which is significantly lower than that of BAs. We performed calculations of phonon scattering, group velocities, relaxation time, mean free path, and the mode Grüneisen parameter to investigate such differences in their thermal characteristics. The outcomes of our research have the potential to enhance our understanding of the mechanisms of heat transfer in BAs, CdSe, CdTe, and GaAs, and to validate the criteria for identifying semiconductor materials with high thermal conductivity, thereby enabling the design of more efficient nano-electronics. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
03615235
Volume :
52
Issue :
5
Database :
Complementary Index
Journal :
Journal of Electronic Materials
Publication Type :
Academic Journal
Accession number :
162916235
Full Text :
https://doi.org/10.1007/s11664-023-10305-0