Computational investigation of the structural, elastic, electronic, and thermodynamic properties of chloroperovskites GaXCl3 (X = Be, Ca, or Sr) using DFT framework
In this study, we employed the pseudopotential plane wave approach to examine the influence of the X atom (X = Be, Ca, or Sr) on the physical properties of isostructural chloroperovskites GaXCl3. The GGA-PBEsol functional was employed to simulate the exchange-correlation interactions. The computed e...
Saved in:
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Published: |
IOP Publishing
2024
|
| Subjects: | |
| Online Access: | http://eprints.um.edu.my/45198/ https://doi.org/10.1088/1402-4896/ad418b |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Be the first to leave a comment!