Superhard and superconductive nondiamond-like BC structure
| Autor: | Quan Huang, Junyun Chen, Baozhong Li, Yingju Wu, Julong He, Lingjuan Hao, Mei Xiong, Shuangshuang Zhang, Zhisheng Zhao, Penghui Li, Mengdong Ma |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Superconductivity
Materials science Condensed matter physics Phonon Mechanical Engineering Structure (category theory) Diamond chemistry.chemical_element 02 engineering and technology General Chemistry engineering.material 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Electronic Optical and Magnetic Materials chemistry Superconducting critical temperature Materials Chemistry engineering Electrical and Electronic Engineering 0210 nano-technology Dispersion (chemistry) Boron |
| Zdroj: | Diamond and Related Materials. 110:108142 |
| ISSN: | 0925-9635 |
| Popis: | Diamond-like B C compounds exhibit the favorable properties of high hardness and superconductivity. The explorations for novel B C phases are kept on going and it was desirable to explore whether the diamond-like structure can still exist stably or not when the content of boron increases. Herein we predicted a nondiamond-like structure t2-BC took place the lowest energy position of the diamond-like structure, which is completely different from the BCx (x ≥ 2) system. Based on elastic constants and phonon dispersion calculations, the mechanical and dynamic stability of t2-BC were confirmed. Furthermore, hardness and electron–phonon calculations reveal that t2-BC is superhard (Hv = 55.4 GPa) and superconductive with superconducting critical temperature reaching 6.4 K. These results have practical significance for the experimental synthesis of diamond and nondiamond like B C compounds. |
| Databáze: | OpenAIRE |
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