Preparation, optical properties and first principle calculation of CsVO3

Highlights: • CsVO₃ has been successfully prepared by solid-state synthesis. • The CsVO₃ luminescent material is a high brightness phosphor. • PL measurements on CsVO₃ shows a broad emission centered at 492 nm. • The optical properties of CsVO₃ are studied based on first-principles. • The optical properties were calculated to reveal its luminescence mechanism. In this paper, the optical properties of CsVO₃ were studied, and the possibility of using CsVO₃ as phosphor for white LED was verified. CsVO₃ phosphor was synthesized by solid-phase method, and its phase, surface morphology and optical properties were evaluated. Our results show that the absorption band of CsVO₃ in the excitation spectrum is 310–390 nm, and the peak value is 368 nm. In the emission spectrum, there is a broad band emission between 400 nm and 700 nm, and the peak value is 492 nm. CIE coordinate value is (0.3591, 0.4131), falling in the yellow green white light range. The band gap of CsVO₃ calculated by PBEsol is 3.065eV, and that of CsVO₃ calculated by PBE is 3.037eV. These results show that CsVO₃ phosphor can be used as a new type of phosphor for white LED, and it is attracting more and more attention.