Complex Ga2O3 polymorphs explored by accurate and general-purpose machine-learning interatomic potentials
Abstract Ga2O3 is a wide-band gap semiconductor of emergent importance for applications in electronics and optoelectronics. However, vital information of the properties of complex coexisting Ga2O3 polymorphs and low-symmetry disordered structures is missing. We develop two types of machine-learning...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-09-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-01117-1 |