A superhard incompressible carbon allotrope with deformation-induced transformation to diamond
At a Glance
Section titled âAt a Glanceâ| Metadata | Details |
|---|---|
| Publication Date | 2024-08-30 |
| Journal | iScience |
| Authors | Lingyu Liu, Linyan Wang, Pan Ying, Meng Hu, Yueqing Li |
| Institutions | Xihua University, Jiangsu University |
| Citations | 2 |
Abstract
Section titled âAbstractâRecognizing the indispensability of hard materials in industrial applications, the persistent pursuit of ultra-strong and superhard materials has been a subject of extensive research. Carbon, with its versatile hybridization possibilities, emerges as a promising avenue for the creation of such materials. Herein, based on first-principles calculations, we predict an all-<i>sp</i> <sup>3</sup> hybrid orthorhombic carbon allotrope named C<sub>10</sub>. It exhibits greater incompressibility along the [010] direction than diamond, demonstrating an extreme hardness with Vickers hardness of up to 72.8 GPa. The Youngâs modulus of C<sub>10</sub> displays anisotropy, closely comparable to diamond along the x axis direction, while maintaining excellent mechanical stability within the range of 100 GPa. Notably, under the influence of shear force, it undergoes transformation into diamond. Functioning as a transparent semiconductor with a wide indirect band gap of 4.55 eV, C<sub>10</sub> holds promise as a potential superhard material in the semiconductor industry, especially under extreme conditions.
Tech Support
Section titled âTech SupportâOriginal Source
Section titled âOriginal SourceâReferences
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