Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Topological Semi-Metal HfIrAs from First-Principles Calculations

Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Topological Semi-Metal HfIrAs from First-Principles Calculations

The ab initio method is used to calculate the electronic, elastic, lattice-dynamic, and thermoelectric properties of the semimetal Half-Heusler compound HfIrAs. Density Functional Theory within Generalized Gradient Approximation is used to carry out calculations of lattice parameters, band structure...

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Bibliographic Details
Main Authors: Muyiwa Kehinde Bamgbose, Funmilayo Ayedun, Gbenro Timothy Solola, Abolore Adebayo Musari, Stephane Kenmoe, Gboyega Augustine Adebayo
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Crystals
Subjects:
first-principles
elastic
thermoelectric
electronic
phonon
compounds
Online Access:https://www.mdpi.com/2073-4352/13/1/37

Internet

https://www.mdpi.com/2073-4352/13/1/37

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