Electronic and Thermoelectric Properties of Li-Based Half-Heusler Alloys: A DFT Study

Electronic and Thermoelectric Properties of Li-Based Half-Heusler Alloys: A DFT Study

In this paper, we have studied the electronic, elastic and thermoelectric properties of the half-Heusler LiCrZ (Z = C, N, Si, and P) materials in Type II phase, in this structure the atomic occupations are X (1/2,1/2,1/2), Y (0,0,0) and Z(1/4,1/4,1/4). The ferromagnetic state of Type II structure wa...

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Bibliographic Details
Main Authors: Issaad F., Maafa A., Rozale H., Boukli Hacene M.A., Bouabça A.
Format: Article
Language:English
Published: Sciendo 2020-12-01
Series:Annals of West University of Timisoara: Physics
Subjects:
li-based half-heusler compounds
dft
elastic properties
electrical conductivity
Online Access:https://doi.org/10.2478/awutp-2020-0006

Internet

https://doi.org/10.2478/awutp-2020-0006

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