Bayesian Optimization of Hubbard U’s for Investigating InGaN Superlattices
In this study, we undertake a Bayesian optimization of the Hubbard U parameters of wurtzite GaN and InN. The optimized Us are then tested within the Hubbard-corrected local density approximation (LDA+U) approach against standard density functional theory, as well as a hybrid functional (HSE06). We p...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-08-01
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| Series: | Electronic Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-3978/2/3/25 |