\({{\mathbf{A}}}^{{\mathbf{II}}}}}{\mathbf{B}}_{2}^{{{\mathbf{III}}}}\mathbf{C}}_{4}^{{\mathbf{VI}}}}\) 的弹性特性和光学声子频率的规律性化合物

IF 0.9 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER
I. A. Mamedova, Z. A. Jahangirli, S. S. Osmanova, N. A. Abdullayev
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引用次数: 0

摘要

利用密度泛函理论(DFT)计算了硫代镓酸盐 CdGa2S4、CdGa2Se4、CdGa2Te4 和 ZnGa2Sе4 的弹性常数 сij。还计算了弹性模量 B。在({{\text{A}}}^{{\text{II}}}}}{text{B}}_{2}}^{{\text{III}}}}{text{C}}_{4}}^{{\text{VI}}}}\ )化合物中发现了光学声子频率对原子质量的依赖关系的规律性。确定了 CdGa2Te4 和 ZnGa2Sе4 化合物中原子间键的力常数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Elastic Properties and Regularities in Frequencies of Optical Phonons of \({{{\mathbf{A}}}^{{{\mathbf{II}}}}}{\mathbf{B}}_{2}^{{{\mathbf{III}}}}{\mathbf{C}}_{4}^{{{\mathbf{VI}}}}\) Compounds

Elastic Properties and Regularities in Frequencies of Optical Phonons of \({{{\mathbf{A}}}^{{{\mathbf{II}}}}}{\mathbf{B}}_{2}^{{{\mathbf{III}}}}{\mathbf{C}}_{4}^{{{\mathbf{VI}}}}\) Compounds

Elastic constants сij of thiogalates CdGa2S4, CdGa2Se4, CdGa2Te4, and ZnGa24 are calculated using the density functional theory (DFT). The elastic moduli B have been calculated. The regularities have been found in the dependences of the optical phonon frequencies on the atomic masses in \({{{\text{A}}}^{{{\text{II}}}}}{\text{B}}_{2}^{{{\text{III}}}}{\text{C}}_{4}^{{{\text{VI}}}}\) compounds. The force constants of interatomic bonds in CdGa2Te4 and ZnGa24 compounds are determined.

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来源期刊
Physics of the Solid State
Physics of the Solid State 物理-物理:凝聚态物理
CiteScore
1.70
自引率
0.00%
发文量
60
审稿时长
2-4 weeks
期刊介绍: Presents the latest results from Russia’s leading researchers in condensed matter physics at the Russian Academy of Sciences and other prestigious institutions. Covers all areas of solid state physics including solid state optics, solid state acoustics, electronic and vibrational spectra, phase transitions, ferroelectricity, magnetism, and superconductivity. Also presents review papers on the most important problems in solid state physics.
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