A first-principles investigation on the structural, electronic and optical characteristics of tetragonal compounds XAgO (X = Li, Na, K, Rb)
First-principles calculations employing the density functional theory full-potential (linearized) augmented plane-wave plus local orbitals (FP-(L)/APW + lo) method were conducted to investigate the structural, electronic and optical characteristics of silver-based ternary oxides XAgO (X = Li, Na, K,...
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| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Published: |
Elsevier
2024
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/44719/ https://doi.org/10.1016/j.cocom.2023.e00876 |
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