Synthesis,Structure and Optical Properties of Cerium(Ⅲ) Triphosphate CeP_3O_9  

作　　者：TONG Hua-Nan ZHANG Hao CHENG Wen-Dan WU Dong-Sheng GONG Ya-Jing ZHU Jing HUANG Shu-Ping ZHAO Dan 

机构地区：[1]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on theStructure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002, China

出　　处：《Chinese Journal of Structural Chemistry》2007年第3期338-346,共9页结构化学（英文）

基　　金：the National Basic Research Program of China (No. 2004CB720605);the National Natural Science Foundation of China (20373073 and 90201015);the Science Foundation of Fujian Province (No. E0210028);the Foundation of State Key Laboratory of Structural Chemistry (No. 060007)

摘　　要：The single crystal and crystallized powder of triphosphate CeP3O9 have been synthesized, and the space group of CeP3O9has been determined to be C2221 with the cell parameters ofa = 8.6059, b = 11.2437, c = 7.3518 A, V= 711.4（3） A^3, Z= 4, D,. = 3.520 g/cm^3, F（000） = 700, R = 0.0377 and wR = 0.0930. The absorption and emission spectra have been measured, for which the strongest absorption and emission peaks are located at 280 and 320 nm, respectively. The density of state （DOS） and dielectric function have been calculated by the DFT method. The crystal is transparent provided the wavelength is larger than 341 nm, and the observed ultraviolet cut-off edge is at about 350 nm for a polycrystalline power sample. It is possible that the triphosphate CeP3O9 will become an ultraviolet emission material.The single crystal and crystallized powder of triphosphate CeP3O9 have been synthesized, and the space group of CeP3O9has been determined to be C2221 with the cell parameters ofa = 8.6059, b = 11.2437, c = 7.3518 A, V= 711.4（3） A^3, Z= 4, D,. = 3.520 g/cm^3, F（000） = 700, R = 0.0377 and wR = 0.0930. The absorption and emission spectra have been measured, for which the strongest absorption and emission peaks are located at 280 and 320 nm, respectively. The density of state （DOS） and dielectric function have been calculated by the DFT method. The crystal is transparent provided the wavelength is larger than 341 nm, and the observed ultraviolet cut-off edge is at about 350 nm for a polycrystalline power sample. It is possible that the triphosphate CeP3O9 will become an ultraviolet emission material.

关 键 词：crystal structure PHOSPHATE optical properties density of states 

分 类 号：O614.332[理学—无机化学] TQ126.35[理学—化学]