A machine-learned interatomic potential for defects investigation in lead-free double perovskite Cs2NaYbCl6
We derive and validate a machine-learned interatomic potential, based on the Chebyshev Interaction Model for Efficient Simulation, for the lead-free double perovskite Cs _2 NaYbCl _6 , with special emphasis on native defect behavior. Starting from Density Functional Theory (DFT) reference data, we c...
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| Główni autorzy: | , , , |
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| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
IOP Publishing
2025-01-01
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| Seria: | Nano Express |
| Hasła przedmiotowe: | |
| Dostęp online: | https://doi.org/10.1088/2632-959X/ae104c |
| Etykiety: |
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