Synthesis, electronic structure and VUV spectroscopy of K2BiZr(PO4)3 Crystals

摘要

The polycrystalline samples of K2BiZr(PO4)3 were synthesized by spontaneous crystallization method. The photoluminescence (PL) spectroscopy studies of K2BiZr(PO4)3 are carried out under the VUV synchrotron excitations. The electronic structure of K2BiZr(PO4)3 is calculated by the FLAPW method. The PL spectra of K2BiZr(PO4)3 reveal two main components in the UV and visible spectral regions (peaking near 3.6 and 2.6 eV respectively). It is assumed that the UV PL component of K2BiZr(PO4)3 originates from transitions in ZrO6 polyhedra, while the visible one is related to Bi3+ ions in oxygen coordination.