First-Principles Investigation of Structural, Thermoelectric, and Optical Properties of Half-Heusler Compound ScRhTe under Varied Pressure

We thoroughly investigated the electronic structure and various properties of the half-Heusler compound ScRhTe using density functional theory calculations. The electronic structure shows that ScRhTe is a narrow-band-gap semiconductor. Owing to its characteristic conduction-band structure, ScRhTe ha...

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Bibliographic Details

Published in:	Crystals
Main Authors:	Junhong Wei, Yongliang Guo, Guangtao Wang
Format:	Article
Language:	English
Published:	MDPI AG 2022-10-01
Subjects:	half-Heusler compound thermoelectric property optical property pressure first-principles calculations
Online Access:	https://www.mdpi.com/2073-4352/12/10/1472