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Issue 9, 2012
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Induced ferromagnetism in one-side semihydrogenated silicene and germanene

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Abstract

The intriguing electronic and magnetic properties of one-side semihydrogenated silicene and germanene are investigated by means of first-principles calculations. Both one-side semihydrogenated silicene and germanene are confirmed as dynamically stable in the ground state based on phonon-mode analysis. Moreover, we find that semihydrogenation from only one side causes localized and unpaired 3p (4p) electrons in the unhydrogenated Si (Ge) sites and then introduces ferromagnetism to silicene (germanene) sheet with no need for doping, cutting, or etching. One-side semihydrogenated silicene and germanene are both identified as semiconductors with direct energy gaps: their gap values obtained from the HSE06 functional are estimated to be 1.74 eV and 1.32 eV, much greater than the PBE-GGA results of 0.94 eV and 0.41 eV, respectively. From pristine to one-side semihydrogenated and then to fully hydrogenated systems, silicene and germanene change from metallic to magnetic semiconducting and then to nonmagnetic semiconducting. The hydrogenation process provides a novel method to tune the properties of silicene and germanene with unprecedented potentials for future nanoelectronics.

Graphical abstract: Induced ferromagnetism in one-side semihydrogenated silicene and germanene

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Publication details

The article was received on 27 Oct 2011, accepted on 15 Dec 2011 and first published on 21 Dec 2011


Article type: Paper
DOI: 10.1039/C2CP23385A
Citation: Phys. Chem. Chem. Phys., 2012,14, 3031-3036
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    Induced ferromagnetism in one-side semihydrogenated silicene and germanene

    X. Wang, H. Li and J. Wang, Phys. Chem. Chem. Phys., 2012, 14, 3031
    DOI: 10.1039/C2CP23385A

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