Electronic and Thermoelectric Properties in Li-Based Half-Heusler Compounds: A First Principle Study

In this paper, we performed a first principle study for new half-Heusler LiSrX(X= N, P, and As) working with WIEN2k code in the frame work of the density functional theory, and the Boltzmann theory. We estimated the exchange-correlation potential by the generalized gradient approximation (GGA). Ener...

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Bibliographic Details

Published in:	Annals of West University of Timisoara: Physics
Main Authors:	Benazouzi Y., Rozale H., Boukli Hacene M. A., Khethir M., Chahed A., Lucache D.
Format:	Article
Language:	English
Published:	Sciendo 2019-12-01
Subjects:	li-based half-heusler compounds dft thermoelectric properties
Online Access:	https://doi.org/10.2478/awutp-2019-0004