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Issue 9, 2019
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Prediction of phonon-mediated superconductivity in two-dimensional Mo2B2

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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 (Tc) 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.

Graphical abstract: Prediction of phonon-mediated superconductivity in two-dimensional Mo2B2

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Publication details

The article was received on 05 Dec 2018, accepted on 24 Jan 2019 and first published on 25 Jan 2019

Article type: Paper
DOI: 10.1039/C8TC06123H
Citation: J. Mater. Chem. C, 2019,7, 2589-2595

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    Prediction of phonon-mediated superconductivity in two-dimensional Mo2B2

    L. Yan, T. Bo, P. Liu, B. Wang, Y. Xiao and M. Tang, J. Mater. Chem. C, 2019, 7, 2589
    DOI: 10.1039/C8TC06123H

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