Prediction of crystallized phases of amorphous Ta2O5-based mixed oxide thin films using a density functional theory database
The genomics approach to materials, heralded by increasingly accurate density functional theory (DFT) calculations conducted on thousands of crystalline compounds, has led to accelerated material discovery and property predictions. However, so far, amorphous materials have been largely excluded from...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2021-03-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/5.0035573 |