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Updated: Jun 3, 2026

Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
Published on: May 15, 2017
Low-temperature phase transformation from graphite to sp3 orthorhombic carbon
Jian-Tao Wang1, Changfeng Chen, Yoshiyuki Kawazoe
1Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, China.
Abstract:
We identify by ab initio calculations an orthorhombic carbon polymorph in Pnma symmetry that has the lowest enthalpy among proposed cold-compressed graphite phases. This new phase contains alternating zigzag and armchair buckled carbon sheets transformed via a one-layer by three-layer slip mechanism. It has a wide indirect band gap and a large bulk modulus that are comparable to those of diamond. Its simulated x-ray diffraction pattern best matches the experimental data. Pressure plays a key role in lowering the kinetic barrier during the phase conversion process. These results provide a comprehensive understanding and an excellent account for experimental findings.
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