冲击波加载下稀土及过渡金属络合物光谱-压力现象的研究

项目名称： 冲击波加载下稀土及过渡金属络合物光谱-压力现象的研究

项目编号： No.11274235

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 邝小渝

作者单位： 四川大学

项目金额： 78万元

中文摘要： 以冲击波加载下稀土及过渡金属络合物的光谱-压力现象为研究目标，建立一种能描述冲击波压力诱导晶格各向异性畸变与发光离子电子能级结构相关联的理论分析方法，提出晶体场与弹性张量相关的物理模型，它包含晶格静电场和发光离子与配体间共价耦合等机理。针对Kobayashi实验涉及的稀土离子Eu2+、Eu3+、Ce3+和Gupta实验涉及的过渡金属离子Cr3+，采用不可约张量方法与行列式波函数方法相结合的方案，对研究体系的哈密顿量构造完全的能量矩阵，通过对角化矩阵确定出冲击压力下晶体结构畸变与光谱移动、谱线变宽以及发光强度减弱等物理现象之间的联系。本项目对于晶体中发光离子光谱与晶体结构相关联的研究将推动使光谱作为原子探针来研究冲击波诱导的固体内变化这一新技术的发展，并揭示出冲击波压力与光谱移动以及晶格畸变间的内在联系。这对于促进原子分子物理与高压物理的交叉发展有重要的意义。

中文关键词： 晶体结构；稀土金属离子；过渡金属离子；光谱；压力

英文摘要： For investigating the optical spectrum-pressure phenomenon of the rare-earth and transition-metal complexes under shock wave loading, a theoretical method will be established. This method will be suitable to describe the correlation between the shock wave pressure induced anisotropic crystal distortion and the electronic structure changes in luminescent ions. A new crystal field model which contains the crystalline electric field and the covalent coupling between the luminescent ions and theirs ligand ions will be proposed. In order to study the spectra of the rare-earth ions Eu2+、Eu3+、Ce3+ and the transition-metal ion Cr3+ in Kobayashi's and Gupta's experiments, both the irreducible tensor method and the Slater determinant method will be used to establish the complete energy matrices for the interaction Hamiltonian. By diagonalizing the energy matrices, the relationship among the spectrum-shift、broadening of the spectrum、reducing intensity of the spectrum as well as the shock wave induced crystal structure distortion will be determined. This project will promote the development of a new technology for using the luminescent ion spectra as an atomic probe to study the shock wave induced the changes in the solids. The correlation between the shock wave pressure and the spectrum shift as well as the crystal distort

英文关键词： crystal structure；rare-earth metal ion；transition-metal ion；spectrum；pressure