期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 19, 期 43, 页码 29237-29243出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cp06180c
关键词
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资金
- NSFC [11474100, 11574088, 11704322]
- Guangdong Natural Science Funds for Distinguished Young Scholars [2014A030306024]
- Guangdong Natural Science Funds for the Doctoral Program [2017A030310086]
- Fundamental Research Funds for the Central Universities [2017MS119]
- Shandong Natural Science Funds for the Doctoral Program [ZR2017BA017]
Using first-principles calculations, we investigate the structural, electronic and superconducting properties of Mg intercalated bilayer borophenes BxMgBx (x = 2-5). Remarkably, B2MgB2 and B4MgB4 are predicted to exhibit good phonon-mediated superconductivity with a high transition temperature (T-c) of 23.2 K and 13.3 K, respectively, while B4MgB4 is confirmed to be more practical based on the analyses of its stability. The densities of states of in-plane orbitals at the Fermi level are found to be dominant at the superconducting transition temperature in Mg intercalated bilayer borophenes, providing an effective avenue to explore Mg-B systems with high T(c)s.
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