First-Principles Calculations of the Phonon, Mechanical and Thermoelectric Properties of Half-Heusler Alloy VIrSi Alloys

First-Principles Calculations of the Phonon, Mechanical and Thermoelectric Properties of Half-Heusler Alloy VIrSi Alloys

The density functional theory was used to explore the structural, electronic, dynamical, and thermoelectric properties of a VIrSi half-Heulser (HH) alloy. The minimum lattice constant of 5.69 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline&quo...

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Bibliographic Details
Main Authors: Paul O. Adebambo, Bamidele I. Adetunji, Oghenekevwe T. Uto, Stephane Kenmoe, Gboyega A. Adebayo
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Crystals
Subjects:
phonon dispersion
PDOS
mechanical properties
power factor
figure of merit
Online Access:https://www.mdpi.com/2073-4352/12/12/1838

Internet

https://www.mdpi.com/2073-4352/12/12/1838

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