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A New Tetragonal Superhard Carbon Allotrope with Unusual Stress-strain Behavior by Qian Zhang; Zhibo Pang; Yi Li; Yifan Cheng; Mingsheng Liu; Mei Xiong; Shaopei Jia; Qisong Li; Yufei Gao; Yunchao Mu; Quan Huang is a Physics and Astronomy article available to read on EtoBox.
What is A New Tetragonal Superhard Carbon Allotrope with Unusual Stress-strain Behavior about?
We identified a carbon allotrope with tetragonal symmetry (P42/nnm, 12 atoms/cell), termed TC12. Unusual tensile behavior characterized by an enormous deformation was observed, leading to a phase transition from superhard TC12 to metallic T6 carbon. This could be related to planar recovery of the C2 atom during stretching of twisted six-membered rings along the crystal direction [100]. The tensile limit of TC12 along the [100] crystal direction is up to 62.5%, corresponding to the tensile strength of 129.96 GPa. The phonon dispersion spectra and elastic constant verified its dynamical and mechanical stabilities. TC12 is a metastable 3D carbon allotrope possessing remarkable mechanical properties: bulk modulus of 339 GPa together with hardness of 56.8 GPa. Electronic structure prediction showed that semiconductor TC12 has an indirect bandgap of 2.247 eV. The findings establish a unique type of carbon phase, which is suggested as a potential material for electronic and machining applications.
Who reads A New Tetragonal Superhard Carbon Allotrope with Unusual Stress-strain Behavior?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Qian Zhang; Zhibo Pang; Yi Li; Yifan Cheng; Mingsheng Liu; Mei Xiong; Shaopei Jia; Qisong Li; Yufei Gao; Yunchao Mu; Quan Huang
- Publisher
- Elsevier BV
- Published
- 2023
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)