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

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

Internet

https://www.mdpi.com/2073-4352/12/10/1472

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