Allan, Lynet; Mulwa, Winfred M.; Mapasha, R. E.; Mwabora, Julius M.; Musembi, Robinson J.
(Journal of Molecular Modeling, 2024-01-10)
The study investigates the impact of Hubbard U correction and spin-orbit coupling (SOC) on the structural, mechanical, electronic, and optical properties of TiO and SrTiO compounds. The research is motivated by the potential ...