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

V. Chornii, Y. Hizhnyi, S. Nedilko, K. Terebilenko, I. Zatovsky, I. Ogorodnyk, V. Boyko
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Abstract

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.
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K2BiZr(PO4)3晶体的合成、电子结构和紫外光谱
采用自发结晶法制备了K2BiZr(PO4)3多晶样品。对K2BiZr(PO4)3在VUV同步加速器激发下的光致发光(PL)光谱进行了研究。用FLAPW方法计算了K2BiZr(PO4)3的电子结构。K2BiZr(PO4)3的PL光谱在紫外和可见光谱区显示出两个主要成分(分别在3.6和2.6 eV附近达到峰值)。假设K2BiZr(PO4)3的UV PL组分来源于ZrO6多面体的跃迁,而可见光PL组分则与氧配位中的Bi3+离子有关。
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