Structural, electronic and optical properties of unstrained and strained LiNbO3: A first-principles study
The exchange-correlation functions of local density approximation and generalized gradient approximation using density functional theory were performed to calculate electronic and optical properties of LiNbO3 crystal. To improve the underestimated value of band gap, a reverse scissor correction proc...
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| Format: | Thesis |
| Language: | English English |
| Published: |
2020
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| Subjects: | |
| Online Access: | http://ir.upnm.edu.my/id/eprint/203/1/STRUCTURAL%2C%20ELECTRONIC%20AND%20%2825p%29.pdf http://ir.upnm.edu.my/id/eprint/203/2/STRUCTURAL%2C%20ELECTRONIC%20AND%20%28Full%29.pdf |
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