Prediction of nature of band gap of perovskite oxides (ABO3) using a machine learning approach

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...

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Bibliographic Details
Main Authors: Sudha Priyanga G, Manoj N. Mattur, N. Nagappan, Smarak Rath, Tiju Thomas
Format: Article
Language:English
Published: Elsevier 2022-09-01
Series:Journal of Materiomics
Subjects:
Perovskites
Machine learning
Random forest algorithm
Nature of band gap
Data set
Online Access:http://www.sciencedirect.com/science/article/pii/S2352847822000545

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http://www.sciencedirect.com/science/article/pii/S2352847822000545

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