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Updated: Apr 5, 2026

High-pressure, High-temperature Deformation Experiment Using the New Generation Griggs-type Apparatus
Published on: April 3, 2018
Structural Deformation of Sm@C88 under High Pressure
Jinxing Cui1, Mingguang Yao1, Hua Yang2
1State Key Laboratory of Superhard Materials, Jilin University, No. 2699 Qianjin Street, Changchun 130012, P.R. China.
High pressure transforms the structure of samarium endohedral fullerenes (Sm@C88). The carbon cage deforms from ellipsoidal to spherical, then peanut-like, collapsing at 18 GPa, affecting electronic properties.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Endohedral fullerenes, such as Sm@C88, exhibit unique structural and electronic properties.
- Understanding their behavior under extreme conditions like high pressure is crucial for novel applications.
Purpose of the Study:
- To investigate the structural transformations of Sm@C88 under high pressure.
- To elucidate the pressure-induced changes in vibrational modes and electronic band gap.
Main Methods:
- Infrared spectroscopy was employed to study Sm@C88 up to 18 GPa.
- Theoretical simulations were used in conjunction with experimental data.
Main Results:
- First-time assignment of infrared-active vibrational modes for Sm@C88 at ambient conditions.
- Anisotropic deformation of the carbon cage observed, transitioning to spherical around 7 GPa.
- Significant reduction in the band gap, with HOMO-LUMO gap decreasing at 7 GPa due to cage deformation and enhanced intermolecular interactions.
Conclusions:
- The trapped samarium atom influences the compression of adjacent bonds.
- The carbon cage undergoes significant deformation, changing shape and eventually collapsing at 18 GPa.
- Pressure-induced structural changes strongly correlate with alterations in electronic band structure.
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