Unlocking the mechanical, thermodynamic and thermoelectric properties of NaSbS2: A DFT scheme
The present study focuses on the ground state mechanical, acoustic, thermodynamic and electronic transport properties of NaSbS2 polymorphs using the density functional theory (DFT) and semi-classical Boltzmann transport theory. The mechanical stability of the polymorphs is affirmed by the calculated...
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Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2025-01-01
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Series: | Heliyon |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844024172519 |
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