The high-pressure study of nanocrystalline CeO2

被引:3
作者
Xiong, Lun [1 ]
Liang, Bi [1 ]
Li, Bin [1 ]
Tu, Pu [1 ]
Miao, Fang [1 ]
Zhang, Yufeng [2 ]
机构
[1] Sichuan Univ Arts & Sci, Sch Intelligent Mfg, Dazhou 635000, Peoples R China
[2] Chinese Acad Sci, Inst Elect Engn, Key Lab Solar Thermal & Photovolta Syst, Beijing 100019, Peoples R China
来源
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2020年 / 34卷 / 09期
关键词
CeO2; high pressure; equation of state; phase transition; diamond anvil cell; in situ XRD; INDUCED PHASE-TRANSFORMATION; FLUORITE; GPA;
D O I
10.1142/S021797922050071X
中图分类号
O59 [应用物理学];
学科分类号
摘要
The structure and properties of the nanosized CeO2 under high pressure have been investigated by synchrotron X-ray diffraction in the diamond anvil cell combined with the first-principle methods based on density functional theory. The experimental data demonstrate that nanosized CeO2 is highly stable upto 31.3 GPa and bulk modulus is 213 +/- 3 GPa. The calculated results by LDA + U indicate that CeO2 undergoes structural transition from cubic fluorite-type structure to orthorhombic alpha-PbCl2-type structure at 20 GPa. The indirect band gap (R -> G) is 1.89 eV and increases with the increasing pressure while it suddenly reduces to 1.62 eV at transition pressure. The transition pressure calculated by GGA is 40.3 GPa.
引用
收藏
页数:8
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