Tuning the opto-electronic properties of BaTiO <sub>3</sub> by S substitution towards energy harvesting applications: a DFT insight using the VASP code
This study used first-principles DFT (VASP) to investigate the structural, electrical, optical, mechanical, and thermal properties of sulfur-substituted BaTiO 3− x S x perovskites.
Authors
- M. M. Hossain (ORCID: https://orcid.org/0000-0003-2454-4996)
- Usama Ahmed (ORCID: https://orcid.org/0000-0001-7199-600X)
- Nushrat Jahan (ORCID: https://orcid.org/0000-0002-1328-4917)
- Mortuza Ali (ORCID: https://orcid.org/0000-0001-9886-1615)
- M. M. Uddin
Institutions
- Chittagong University of Engineering & Technology (BD)
- Rajshahi University of Engineering and Technology (BD)
Publication Details
- Journal
- Materials Advances
- Published
- 2025-11-04
- DOI
- https://doi.org/10.1039/d5ma00882d
- Primary Topic
- Ferroelectric and Piezoelectric Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Styrelsen för Internationellt Utvecklingssamarbete