Abstract

The luminescent and optical properties of materials based on zirconium(IV) oxide grown by crystallization of ZrO₂ melts with 0, 2.0, 2.5, 2.8, and 3.7 mol % of Y₂O₃ are studied. Using Raman spectroscopy, it is found that this material with the Y₂O₃ concentration below 2 mol % is mainly a monoclinic ZrO₂ phase. The photoluminescence spectra of these crystals contain a blue–green band peaking at an energy of 2.4 eV. This fact in combination with the specific features of the refractive index and absorption coefficient dispersions indicates the presence of high concentrations of oxygen vacancies and polyvacancies in the samples. At higher concentrations of Y₂O₃ in the mixture, the tetragonal ZrO₂ modification becomes dominant in the materials under study and the blue–green luminescence intensity decreases. The experimental optical spectra are analyzed in comparison with the ab initio calculated spectra for ideal ZrO₂ crystals in the cubic, tetragonal, and monoclinic phases.

中文翻译：

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熔体定向结晶生长的（ZrO 2）1 – x（Y 2 O 3）х（х= 0–0.037）晶体的光学性质

摘要

研究了通过ZrO ₂熔体与0、2.0、2.5、2.8和3.7 mol％的Y ₂ O ₃的结晶生长的基于氧化锆的材料的发光和光学性质。使用拉曼光谱法，发现该Y ₂ O ₃浓度低于2mol％的材料主要是单斜ZrO ₂相。这些晶体的光致发光光谱包含在能量为2.4 eV时达到峰值的蓝绿色带。这一事实与折射率和吸收系数色散的特定特征相结合，表明样品中存在高浓度的氧空位和多空位。在较高的Y ₂ O浓度下在混合物中₃，四方ZrO ₂修饰在所研究的材料中占主导地位，蓝绿色发光强度降低。与从头算出的立方，四方和单斜晶相的理想ZrO ₂晶体的光谱进行了比较，对实验光谱进行了分析。