Ab Initio Prediction of the Structural, Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Ternary Compounds TiIrX (X = As and Sb)
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DOI: 10.1007/s11664-017-5761-9
Abstract: The structural, electronic, elastic, and thermoelectric properties of TiIrX (X = As and Sb) half-Heusler compounds with 18 valence electrons were studied using density functional theory. The generalized gradient approximation of Perdew–Burke and Ernzerhof used for calculation… read more here.
Keywords: thermoelectric properties; structural electronic; half heusler; electronic elastic ... See more keywords
Exploring the structural, optoelectronic, elastic, and thermoelectric properties of cubic ternary fluoro-perovskites sodium based NaMF3 (M = Si and Ge) compounds for heterojunction solar cells applications
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DOI: 10.1088/1402-4896/accfc5
Abstract: In the current research, the structural, optoelectronic, elastic, and thermoelectric properties of NaMF3 (M = Si and Ge) ternary halide perovskites compounds are computed within the DFT framework using first-principle modeling. The obtained results of… read more here.
Keywords: structural optoelectronic; elastic thermoelectric; solar cells; thermoelectric properties ... See more keywords