| CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Design of a Class of New $sp^{2}$–$sp^{3}$ Carbons Constructed by Graphite and Diamond Building Blocks |
| Kun Luo , Bing Liu , Lei Sun , Zhisheng Zhao*, and Yongjun Tian |
| Center for High Pressure Science (CHiPS), State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China |
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| Cite this article: |
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Kun Luo , Bing Liu , Lei Sun et al 2021 Chin. Phys. Lett. 38 028102 |
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Abstract The $sp^{2}$–$sp^{3}$-hybridized carbon allotropes with the advantage of two hybrid structures possess rich and fascinating electronic and mechanical properties and they have received long-standing attention. We design a class of versatile $sp^{2}$–$sp^{3}$ carbons composed of graphite and diamond structural units with variable sizes. This class of $sp^{2}$–$sp^{3}$ carbons is energetically more favorable than graphite under high pressure, and their mechanical and dynamical stabilities are further confirmed at ambient pressure. The calculations of band structure and mechanical properties indicate that this class of $sp^{2}$–$sp^{3}$ carbons not only exhibits peculiar electronic characteristics adjusted from semiconducting to metallic nature but also presents excellent mechanical characteristics, such as superhigh hardness and high ductility. These $sp^{2}$–$sp^{3}$ carbons have desirable properties across a broad range of potential applications.
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Received: 02 December 2020
Published: 27 January 2021
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| Fund: Supported by the National Key R&D Program of China (Grant No. 2018YFA0703400), the National Natural Science Foundation of China (Grant Nos. 91963203, U20A20238, 51525205, and 52090020), the NSF for Distinguished Young Scholars of Hebei Province of China (Grant No. E2018203349), and the China Postdoctoral Science Foundation (Grant No. 2017M620097). |
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