High-pressure Raman spectroscopy of CeOCl: Observation of the isostructural phase transition

被引：10
|
作者：
Zhang, Leilei [1 ,4 ]
Cheng, Ya [2 ,3 ]
Wang, Xianlong [2 ,3 ]
Hu, Qiwei [1 ]
Zeng, Zhi [2 ,3 ]
He, Duanwei [1 ]
Lei, Li [1 ]
机构：
[1] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
[2] Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei, Anhui, Peoples R China
[3] Univ Sci & Technol China, Inst Solid State Phys, Hefei, Anhui, Peoples R China
[4] China Acad Engn Phys, Natl Key Lab Shock Wave & Detonat Phys, Inst Fluid Phys, Mianyang, Sichuan, Peoples R China
来源：
JOURNAL OF RAMAN SPECTROSCOPY | 2019年 / 50卷 / 12期
基金：
中国国家自然科学基金;
关键词：
CeOCl; first-principles calculations; high pressure; isostructural phase transformation; TOTAL-ENERGY CALCULATIONS; FLUORESCENCE; LA; GD;
D O I：
10.1002/jrs.5717
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
High-pressure structural evolution of CeOCl, a lanthanide oxychloride, was investigated by in situ high-pressure Raman scattering and first-principles calculations. We report the novel observation of discontinuities in Raman wavenumber at the pressure of approximately 7 GPa, which are related to an isostructural phase transformation caused by an increase of Bader charge transfer from Ce to Cl and O. In addition, the mode-Gruneisen parameters (of CeOCl) were given and discussed. This is helpful for us to better understand applications of the Ce-based compounds.
引用
收藏
页码：1962 / 1968
页数：7
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