First-principles calculations to investigate the elastic, electronic, dynamical, and optical properties of cubic ZrCoAs half-Heusler semiconductor for photovoltaic applications
The electronic, mechanical, elastic, dynamical, and optical properties of the ZrCoAs half-Heusler compound have been systematically investigated using the plane wave self-consistent field approach with the Perdew-Burke-Erzerhof generalized gradient approximation (GGA-PBE) exchange-correlation functi...
Main Authors: | , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2024-06-01
|
Series: | Results in Materials |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2590048X24000323 |