Band gap predictions of double perovskite oxides using machine learning

Abstract The compositional and structural variety inherent to oxide perovskites spawn wide-ranging applications. In perovskites, the band gap Eg, a key material parameter for these applications, can be optimally controlled by varying the composition. Here, we implement a hierarchical screening proce...

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Bibliographic Details
Main Authors: Anjana Talapatra, Blas Pedro Uberuaga, Christopher Richard Stanek, Ghanshyam Pilania
Format: Article
Language:English
Published: Nature Portfolio 2023-06-01
Series:Communications Materials
Online Access:https://doi.org/10.1038/s43246-023-00373-4