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Thermodynamic Phase Diagram and Phonon stability, Electronic and Optical Properties of FeVSb: A DFT study

Mechanical, electronic, thermodynamic phase diagram and optical properties of the FeVSb half-Heusler have been studied based on the density functional theory (DFT) framework. Studies have shown that this structure in the MgAgAs-type phase has static and dynamic mechanical stability with high thermod...

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Principais autores: A. Bagheri, A. Boochani, S.R. Masharian, F.H. Jafarpour
Format: Artigo
Sprog:Inglês
Udgivet: Polish Academy of Sciences 2023-03-01
Serier:Archives of Metallurgy and Materials
Fag:
dft
thermodynamic phase diagram
phonon
electronic properties
optical properties
Online adgang:https://journals.pan.pl/Content/126269/PDF/AMM-2023-1-45-Boochani.pdf
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