Preparation, optical properties and first principle calculation of CsVO3.

In this paper, the optical properties of CsVO 3 were studied, and the possibility of using CsVO 3 as phosphor for white LED was verified. CsVO 3 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 CsVO 3 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 CsVO 3 calculated by PBEsol is 3.065eV, and that of CsVO 3 calculated by PBE is 3.037eV. These results show that CsVO 3 phosphor can be used as a new type of phosphor for white LED, and it is attracting more and more attention. • CsVO 3 has been successfully prepared by solid-state synthesis. • The CsVO 3 luminescent material is a high brightness phosphor. • PL measurements on CsVO 3 shows a broad emission centered at 492 nm. • The optical properties of CsVO 3 are studied based on first-principles. • The optical properties were calculated to reveal its luminescence mechanism. [ABSTRACT FROM AUTHOR]