Y2Sn2O7的声子谱和弹性性质

IF 0.8 4区物理与天体物理 Q4 OPTICS

Optics and Spectroscopy Pub Date : 2022-02-21 DOI:10.1134/S0030400X21080051

V. A. Chernyshev, K. I. Glukhov, P. A. Agzamova

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引用次数: 0

摘要

用一般从头算法计算了锡酸钇Y2Sn2O7的声子谱，确定了其红外和拉曼模式的频率和类型。离子在声子模式中的参与程度是由从头计算的位移矢量分析确定的。计算了Y2Sn2O7的弹性常数和硬度。计算了Y2Sn2O7:Yb3+、Y2Sn2O7:Eu3+、Lu2Sn2O7:Yb3+、Nd2Sn2O7:Gd3+和Nd2Sn2O7:Tb3+杂质中心的杂质离子配体距离。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Phonon Spectrum and Elastic Properties of Y2Sn2O7

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Phonon Spectrum and Elastic Properties of Y2Sn2O7

The phonon spectrum of yttrium stannate Y₂Sn₂O₇ is calculated within a general ab initio approach and the frequencies and types of IR and Raman modes are determined. The degree of involvement of ions in phonon modes is determined from the analysis of displacement vectors calculated ab initio. The elastic constants and hardness of Y₂Sn₂O₇ are calculated. The impurity ion–ligand distance in Y₂Sn₂O₇:Yb³⁺, Y₂Sn₂O₇:Eu³⁺, Lu₂Sn₂O₇:Yb³⁺, Nd₂Sn₂O₇:Gd³⁺, and Nd₂Sn₂O₇:Tb³⁺ impurity centers is calculated.

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来源期刊

Optics and Spectroscopy 物理-光谱学

CiteScore

1.60

自引率

0.00%

发文量

审稿时长

4.5 months

期刊介绍： Optics and Spectroscopy (Optika i spektroskopiya), founded in 1956, presents original and review papers in various fields of modern optics and spectroscopy in the entire wavelength range from radio waves to X-rays. Topics covered include problems of theoretical and experimental spectroscopy of atoms, molecules, and condensed state, lasers and the interaction of laser radiation with matter, physical and geometrical optics, holography, and physical principles of optical instrument making.