First-principles study of luminescence and electronic properties of Ce-doped Y2SiO5
The transition of energy from the 4f to the 5d state is a fundamental element driving various applications, such as phosphors and optoelectronic devices. The positioning of the 4f ground states and the 5d excited states significantly influences this energy shift. In our research, we delve into the placement of these states utilizing a hybrid DFT combined with spin-orbit coupling (SOC) via the supe