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Issue 7, 2019
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Observation of a Dirac state in borophene hetero-bilayers by Cr intercalation

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Abstract

By intercalating Cr atoms into borophene hetero-bilayers (BHBs), three kinds of Cr@BHBs, namely, Cr@BHB(α1,β), Cr@BHB(α1,β1) and Cr@BHB(β,β1) are constructed and intriguing electronic and magnetic properties are predicted by density functional theory calculations. Interestingly, a Dirac cone is found in Cr@BHB(α1,β), which is well conserved even under 8% tensile strain along uniaxial x and biaxial xy directions, and up to 4% tensile strain along the y direction. On the contrary, the Dirac cone disappears when exerting biaxial or uniaxial compressive strains, and Cr@BHB(α1,β) is transformed into a ferromagnetic half metal or metal eventually. In addition, the Cr@BHB(α1,β1) and Cr@BHB(β,β1) isomers are found to be an antiferromagnetic semiconductor and ferromagnetic half metal, respectively, and their electronic and magnetic properties are sensitive to the external strains. Our study proposes a pathway for designing borophene based materials with intriguing properties, which may have potential applications in electronics and spintronics.

Graphical abstract: Observation of a Dirac state in borophene hetero-bilayers by Cr intercalation

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Publication details

The article was received on 26 Dec 2018, accepted on 14 Jan 2019 and first published on 15 Jan 2019


Article type: Paper
DOI: 10.1039/C8TC06553E
Citation: J. Mater. Chem. C, 2019,7, 2068-2075

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    Observation of a Dirac state in borophene hetero-bilayers by Cr intercalation

    X. Yao, D. Yi and X. Zhang, J. Mater. Chem. C, 2019, 7, 2068
    DOI: 10.1039/C8TC06553E

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