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Issue 48, 2016
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The electronic structure and spin states of 2D graphene/VX2 (X = S, Se) heterostructures

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Abstract

The structural, magnetic and electronic properties of 2D VX2 (X = S, Se) monolayers and graphene/VX2 heterostructures were studied using a DFT+U approach. It was found that the stability of the 1T phases of VX2 monolayers is linked to strong electron correlation effects. The study of vertical junctions comprising of graphene and VX2 monolayers demonstrated that interlayer interactions lead to the formation of strong spin polarization of both graphene and VX2 fragments while preserving the linear dispersion of graphene-originated bands. It was found that the insertion of Mo atoms between the layers leads to n-doping of graphene with a selective transformation of graphene bands keeping the spin-down Dirac cone intact.

Graphical abstract: The electronic structure and spin states of 2D graphene/VX2 (X = S, Se) heterostructures

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Article information


Submitted
30 Sep 2016
Accepted
11 Nov 2016
First published
11 Nov 2016

Phys. Chem. Chem. Phys., 2016,18, 33047-33052
Article type
Paper

The electronic structure and spin states of 2D graphene/VX2 (X = S, Se) heterostructures

Z. I. Popov, N. S. Mikhaleva, M. A. Visotin, A. A. Kuzubov, S. Entani, H. Naramoto, S. Sakai, P. B. Sorokin and P. V. Avramov, Phys. Chem. Chem. Phys., 2016, 18, 33047
DOI: 10.1039/C6CP06732H

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