First-Principles Calculations to Investigate Structural, Electronic, Optical, and Elastic Properties of Ceria
The structural, electronic, optical, and elastic properties of Ceria (CeO2) were investigated using local density approximation (LDA), PBE, DFT + U, and PBE0 approximations. In all approximations, the convergence test of total energy with respect to kinetic energy cutoff, k-point, and lattice consta...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2022-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2022/3619600 |
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