First-principles calculations of the phonon, mechanical and thermoelectric properties of half-heusler alloy virsi alloys

HIGHLIGHTS

• who: Paul O. Adebambo et al. from the Department of Physics, Federal University of Agriculture, Abeokuta PMB., Nigeria have published the article: First-Principles Calculations of the Phonon, Mechanical and Thermoelectric Properties of Half-Heusler Alloy VIrSi Alloys, in the Journal: Crystals 2022, 12, 1838. of /2022/
• what: We used the density functional theory and semi-classical Boltzmann transport theory under the constant rigid band approximation to predict the structural, electrical, dynamic, and thermoelectric properties of VIrSi alloy in order to have more insight into these properties.

SUMMARY

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