A comprehensive investigation on the physical properties of SiC polymorphs for high-temperature applications: A DFT study based on GGA and hybrid HSE06 exchange correlation functionals
This investigation reports the structural, electronic, bonding, elastic, mechanical, thermodynamic, thermal and optical characteristics of SiC polymorphs by DFT based GGA and hybrid HSE06 ab-initio computational methodology. SiC exhibits a multitude of structural orientations, with cubic (3C SiC) an...
Main Author: | Minhajul Islam |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2024-03-01
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Series: | Nuclear Materials and Energy |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S235217912400053X |
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