Pressure-Induced Electronic, Structural and Optical Properties of Ru-LiNbO3 Perovskite: A DFT+U Study
Owing to its remarkable features, lithium niobate (LiNbO3) has been deployed in wide range of applications. In this study, the structural, electronic, and optical properties of the pristine LiNbO3 and Ru substituted B-site of LiNbO3 were investigated by employing density functional theory approach (DFT) within CASTEP c...