Theoretical Investigation of Elastic, Electronic, and Thermodynamic Properties of Half-Heusler Semiconductors ZrNiPb and ZrPdPb Under Pressure

The half-Heusler semiconductors ZrNiPb and ZrPdPb have attracted considerable attention due to their excellent thermoelectric performance, owing largely to their appropriate energy bandgap. However, the bandgap is sensitive to pressure, which may influence their thermoelectric behavior. In this stud...

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Bibliographic Details

Published in:	Nanomaterials
Main Authors:	Xiaorui Chen, Xin Zhang, Zhibin Shao, Jianzhi Gao, Minghu Pan
Format:	Article
Language:	English
Published:	MDPI AG 2025-02-01
Subjects:	elastic properties electronic structures thermodynamic properties half-Heusler semiconductor first-principles calculations
Online Access:	https://www.mdpi.com/2079-4991/15/3/241