Rattling Vibrations Observed by Means of Single-Crystal X-ray Diffraction in the Filled Skutterudite ROs4Sb12 (R = La, Ce, Pr, Nd, Sm)

被引：24
|
作者：
Yamaura, Jun-ichi [1 ]
Hiroi, Zenji [1 ]
机构：
[1] Univ Tokyo, Inst Solid State Phys, Chiba 2778581, Japan
来源：
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2011年 / 80卷 / 05期
关键词：
skutterudite; Einstein temperature; rattling vibration; guest ion mode; structure analysis; ELECTRIC-FIELD; ANTIMONIDES; PROS4SB12; LAFE4P12;
D O I：
10.1143/JPSJ.80.054601
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We prepared a series of high-quality single crystals of the filled skutterudite ROs4Sb12 (R = La, Ce, Pr, Nd, Sm) and performed precise X-ray structural analyses to investigate the relation between the crystal structure and rattling vibration of the guest R atoms. The results revealed that in a cage made of Sb, with increasing guest free space from La to Sm, the thermal displacement parameter of the R ion increases and the Einstein temperature, which represents the characteristic energy of the rattling, decreases. Anisotropic distribution of the electron density was observed, in particular for small R ions, which indicates that there is large anharmonicity along the [111] direction that reflects the specific shape of the Sb cage.
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页数：7
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