High-throughput deformation potential and electrical transport calculations
Abstract The deformation potential plays an important role in electrical transport properties, but in the context of high-throughput searches requires a consistent and readily computable reference level. Here, we design a high-throughput method for calculating the deformation potential for semicondu...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-10-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-01153-x |