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Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa(2)Te(4): ab initio study

The pressure induced structural, electronic, transport, and lattice dynamical properties of ZnGa(2)Te(4) were investigated with the combination of density functional theory, Boltzmann transport theory and a modified Debye–Callaway model. The structural transition from I4̄ to I4̄2m occurs at 12.09 GP...

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Detalles Bibliográficos
Autores principales:	Govindaraj, Prakash, Sivasamy, Mugundhan, Murugan, Kowsalya, Venugopal, Kathirvel, Veluswamy, Pandiyarasan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9040737/ https://www.ncbi.nlm.nih.gov/pubmed/35480360 http://dx.doi.org/10.1039/d2ra00805j

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