首页|Er掺杂PbF2晶体的局域团簇结构与光谱性能研究

Er掺杂PbF2晶体的局域团簇结构与光谱性能研究

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本文采用Bridgman法成功生长了一系列Er∶PbF2晶体。利用基于密度泛函理论的第一性原理计算详细研究了Er3+在PbF2晶体中的团簇效应。首次获得了 Er∶PbF2晶体的上转换发光特性(发光强度、颜色变化)与团簇结构之间的关系。研究发现，随着Er3+浓度增加，团簇从单聚体向高阶构型演化，Er3+离子之间的距离先减小后增大，这使得上转换发光中的红色发射强度先增大后减小，红绿发光比也在Er3+浓度高于6。5％(摩尔分数)后逐渐减小，即发光颜色可以从红色调整为黄绿色。该研究证明了稀土离子团簇的结构演化可以调控Er∶PbF2的光谱特性，为多色发光材料的设计提供一种新方法。
Investigation of Localized Cluster Structure and Spectral Properties of Er-Doped PbF2 Crystals
In this paper,a series of Er∶PbF2 crystals were successfully grown by Bridgman method.The first-principles calculation based on the density functional theory was applied to investigate the clustering effect of Er3+in PbF2 crystals in details.The relationship between the up-conversion(UC)luminescence properties(luminescence intensity,color variation)and the cluster structure in Er∶PbF2 crystals was obtained for the first time.It is found that as Er3+concentration increases,the clusters evolve from monomers to higher-order configurations,with the distance between Er3+ions decreasing and then increasing,resulting in the intensity of the red emission in the UC fluorescence first increasing and then decreasing,and the red-green luminescence ratio also decreases after the Er3+concentration is higher than 6.5％(mole fraction),indicating that the luminescence color can be adjusted from red to yellow-green.This study proves that the structural evolution of rare-earth ion clusters could regulate the spectroscopic properties of Er∶PbF2,which provides a novel method for the design of multi-color luminescent materials.

Er∶PbF2 crystalup-conversion luminescencedensity functional theoryerbium clusterspectral property

李琳、张沛雄、谭俊成、朱思祁、尹浩、李真、陈振强

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暨南大学物理与光电工程学院,广州 510632

广东省晶体与激光技术工程研究中心,广州 510632

Er∶PbF2晶体 上转换发光 密度泛函理论 铒离子团簇 光谱性能

国家自然科学基金国家自然科学基金国家自然科学基金国家自然科学基金国家自然科学基金国家自然科学基金广东省重点领域研究发展计划广州市科技计划

5197214961935010518723075170212462175091517021242020B00909220062024A03J0240

2024

人工晶体学报
中材人工晶体研究院

人工晶体学报

CSTPCD北大核心
影响因子：0.554
ISSN：1000-985X
年,卷(期)：2024.53(7)
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