Prediction of nature of band gap of perovskite oxides (ABO3) using a machine learning approach
A material's electronic properties and technological utility depend on its band gap value and the nature of band gap (i.e. direct or indirect). This nature of band gaps is notoriously difficult to compute from first principles. In fact it is computationally intense to approximate and also rathe...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-09-01
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| Series: | Journal of Materiomics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352847822000545 |