Abstract:
In this theoretical study, the structural, optical and electronic properties of KTaO3 have been investigated. The Density of States clearly depicts the strong contribution of the p orbitals of Oxygen in the bonding, indicating the structure's stability. With a band gap of 2.65 eV coupled with negligibly low energy loss and significantly high absorptivity in the visible region, the material implies strong application in Optoelectronic and solar cell purposes.