First principle study of ATiO 3 (A=Ti,Sr) materials for photovoltaic applications

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Allan_First_2024.pdf (2.49 MB)

Date

2024-01

Authors

Allan, Lynet
Mulwa, Winfred M.
Mapasha, Refilwe Edwin
Mwabora, Julius M.
Musembi, Robinson J.

Journal Title

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Publisher

Springer

Abstract

Please read abstract in the article.

Description

DATA AVAILABILITY : The authors will provide the source files and data upon request.

Keywords

Spin-orbit coupling (SOC), Density functional theory (DFT), Optical properties, Electronic and elastic properties

Sustainable Development Goals

None

Citation

Allan, L., Mulwa, W.M., Mapasha, R.E. et al. First principle study of ATiO (A=Ti,Sr) materials for photovoltaic applications. Journal of Molecular Modeling 30, 32 (2024). https://doi.org/10.1007/s00894-023-05823-x.

URI

http://hdl.handle.net/2263/94464

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Research Articles (Physics)
Research Articles (University of Pretoria)
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