First principles study of Rb2NaGaX6 (X = Br, Cl) double perovskites: Structural, mechanical, vibrational, electronic, optical, SLME, thermoelectric and thermodynamic properties for solar cell applications
The Density Functional Theory (DFT) was employed to calculate the mechanical, vibrational, structural, electronic, SLME, thermoelectric, optical, and thermodynamic properties of a double perovskite material, Rb2NaGaX6 (X = Br, Cl). The first principles computations were conducted using CASTEP and Qu...
| Published in: | JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS |
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| Main Authors: | , , , , , , , , |
| Format: | Article |
| Language: | English |
| Published: |
PERGAMON-ELSEVIER SCIENCE LTD
2025
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| Subjects: | |
| Online Access: | https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-recordWOS:001374980700001 |