Investigation on Structural, Electronic, Thermal and Thermoelectric Properties of Al0.25B0.75As Alloy Under Pressure, Based on Density Functional Theory (DFT)

Investigation on Structural, Electronic, Thermal and Thermoelectric Properties of Al0.25B0.75As Alloy Under Pressure, Based on Density Functional Theory (DFT)

In this paper, structural, electronic, thermal, and thermoelectric properties of Al 0.25B 0.75As alloy, under pressures 0 GPa, 4 GPa and 8 GPa, have been calculated. The value of band gap at present work under 0 GPa, with GGA(PBE) exchange-correlation potential, is very close to other works with TB-...

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Bibliographic Details
Main Authors: A. Fazeli Kisomi, S.J. Mousavi, B. Nedaee-Shakarab
Format: Article
Language:English
Published: Polish Academy of Sciences 2023-09-01
Series:Archives of Metallurgy and Materials
Subjects:
al0.25b0.75as
thermoelectric properties
electronic properties under pressure and wien2k
Online Access:https://journals.pan.pl/Content/128374/PDF/AMM-2023-3-05-Kisomi.pdf

Internet

https://journals.pan.pl/Content/128374/PDF/AMM-2023-3-05-Kisomi.pdf

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