期刊
JOURNAL OF MATERIALS CHEMISTRY C
卷 7, 期 9, 页码 2589-2595出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8tc06123h
关键词
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资金
- National Natural Science Foundation of China [11835008, 51872250, 51472210]
- State Key Laboratory of Intense Pulsed Radiation Simulation and Effect (Northwest Institute of Nuclear Technology) [SKLIPR1606, SKLIPR1814]
- Key Laboratory of Low Dimensional Materials & Application Technology of Ministry of Education (Xiangtan University) [KF20180203]
- China Postdoctoral Science Foundation [2018M641477]
- Guangdong Provincial Department of Science and Technology, China [2018A0303100013]
Superconductivity has attracted much interest in two-dimensional (2D) compounds because of their application in constructing nano-superconducting devices. Based on the crystal structure prediction method and first-principles calculations, we obtain two new 2D molybdenum boride structures of tetr- and tri-Mo2B2. Then, we calculate their electronic structures, phonon spectra, electron-phonon coupling (EPC), and superconducting properties. The results show that both tetr- and tri-Mo2B2 are intrinsic phonon-mediated superconductors with superconducting transition temperatures (T-c) of 3.9 and 0.2 K, respectively. We demonstrate that the EPC is mainly from the low-frequency phonon vibrations of Mo atoms. Our findings will enrich 2D superconducting materials and stimulate more efforts in this field.
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