稀土元素和微观缺陷对立方氧化锆晶体发光性能的影响

稀土元素和微观缺陷是决定光学晶体发光性能的关键因素。采用光学浮区炉生长稀土掺杂氧化钇稳定氧化锆(简称RE:YSZ，RE= Nd3+, Yb3+, Er3+, Ho3+, Tb4+) 激光晶体以及Er3+:YSZ、(Er3+, Yb3+):YSZ上转换发光晶体。以XRD表征RE:YSZ的晶体结构。测量RE:YSZ晶体的符合正电子湮没辐射多谱勒展宽谱，提取稀土元素4f电子的信息；测量RE:YSZ晶体的正电子寿命谱，获取晶体内部的缺陷类型、开空间和浓度等信息；测量RE:YSZ晶体的电子顺磁共振谱，研究稀土离子的超精细相互作用。测量RE:YSZ晶体的吸收和发射光谱以及 Er3+: YSZ、(Er3+, Yb3+):YSZ晶体的上转换发光光谱。采用第一性原理计算它们的电子结构和光学性质。研究电子结构、稀土离子4f电子、超精细相互作用、微观缺陷等对RE:YSZ晶体光学性能和热学性能的影响。

Rare earth elements and microdefects are the key factors to determine the luminescence properties of optical crystals. High quality of yttria stabilized zirconia single crystals doped with different contents of rare earth elements ( hereinafter referred to as RE:YSZ, RE= Nd3+, Yb3+, Er3+, Ho3+, Tb4+) for laser crystals , and Er3+: YSZ, (Er3+,Yb3+):YSZ single crystals for upconversion luminescence materials will be grown by an optical floating zone furnace. The crystal sructures will be charactered by XRD. The behavior of 4f electrons of the rare earth elements in the RE:YSZ crystals will be extracted from their coincidence Doppler broadening spectra of positron annihilation radiation. The type, the open volume and the concentration of micro-defects in the RE:YSZ crystals will be analysed by measuring their positron lifetime spectra. The hyperfine interactions of the RE:YSZ crystals will be charactered by measuring their EPR spectra. The luminescence properties of the RE:YSZ crystals will be studied by measuring their absorption, emission and excitation spectra. The upconversion luminescence spectra of Yb3+:YSZ and (Er3+,Yb3+):YSZ single crystals will be measured and analyzed by using Zolix fluorescence spectrophotometer. The electronic structures and the optical properties of the RE:YSZ crystals will be calculated by the first principles of plane wave ultra-soft pseudo-potential technology based on density function theory. The effects of the electronic structures, microdefects, the 4f electrons of the dopant ions, the hyperfine interactions on the optical properties and thermal properties of the RE: YSZ single crystals will be studied.