DFT+U studies of structure and optoelectronic properties of Fe2SiO4 spinel

• Main Authors: Idris, M. C., Shaari, A., Razali, R., Lawal, Abdullahi, Ahams, S. T.
• Format: Article
• Published: Elsevier B.V. 2020
• Subjects: QC Physics
• Online Access: http://eprints.utm.my/id/eprint/90441/; http://dx.doi.org/10.1016/j.cocom.2020.e00460

Spinel oxides have been predicted as one of the potential materials in the transparent conducting oxides community. A detailed first-principles pseudopotential investigation was performed with a view to explain the structure and optoelectronic properties of Fe2SiO4 spinel. The band structure of Fe2S...