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

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

dc.contributor.author	Allan, Lynet
dc.contributor.author	Mulwa, Winfred M.
dc.contributor.author	Mapasha, Refilwe Edwin
dc.contributor.author	Mwabora, Julius M.
dc.contributor.author	Musembi, Robinson J.
dc.date.accessioned	2024-02-12T08:43:03Z
dc.date.available	2024-02-12T08:43:03Z
dc.date.issued	2024-01
dc.description	DATA AVAILABILITY : The authors will provide the source files and data upon request.	en_US
dc.description.abstract	Please read abstract in the article.	en_US
dc.description.department	Physics	en_US
dc.description.librarian	hj2024	en_US
dc.description.sdg	None	en_US
dc.description.sponsorship	Open access funding provided by University of Pretoria. The Partnership for Skills in Applied Sciences, Engineering, and Technology (PASET)-Regional Scholarship Innovation Fund provided funding for this project (RSIF). The Center for High-Performance Computing, CHPC, Cape, is acknowledged by the authors as a source of HPC resources.	en_US
dc.description.uri	https://link.springer.com/journal/894	en_US
dc.identifier.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.	en_US
dc.identifier.issn	1610-2940 (print)
dc.identifier.issn	0948-5023 (online)
dc.identifier.other	10.1007/s00894-023-05823-x
dc.identifier.uri	http://hdl.handle.net/2263/94464
dc.language.iso	en	en_US
dc.publisher	Springer	en_US
dc.rights	© The Author(s) 2024. Open Access This article is licensed under a Creative Commons Attribution 4.0 International License.	en_US
dc.subject	Spin-orbit coupling (SOC)	en_US
dc.subject	Density functional theory (DFT)	en_US
dc.subject	Optical properties	en_US
dc.subject	Electronic and elastic properties	en_US
dc.title	First principle study of ATiO 3 (A=Ti,Sr) materials for photovoltaic applications	en_US
dc.type	Article	en_US