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