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Modulation of the electronic properties and spin polarization of 2H VS2 nanoribbons by tuning ribbon widths and edge decoration

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Abstract

The band structures and spin-polarization characteristics of armchair and zigzag VS2 nanoribbons with different terminated edges are investigated based on density functional theory (DFT) calculations with a spin polarized meta-GGA. The results reveal that zigzag 2H VS2 nanoribbons exhibit metal, half-metal, or semiconductor electrical characteristics with different edge decorations or ribbon widths. And the spin polarized ratio can achieve 100% self-polarization for the zigzag VS2 nanoribbons with V atom edges. The Curie temperatures (TC) estimated by mean field approximation simulations for the zigzag 2H VS2 nanoribbons with terminated edges of V systems are 276 K. These preliminary findings offer an effective treatment option for controllable and adjustable spintronic devices.

Graphical abstract: Modulation of the electronic properties and spin polarization of 2H VS2 nanoribbons by tuning ribbon widths and edge decoration

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Publication details

The article was received on 24 May 2019, accepted on 26 Jul 2019 and first published on 27 Jul 2019


Article type: Paper
DOI: 10.1039/C9CP02933H
Phys. Chem. Chem. Phys., 2019, Advance Article

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    Modulation of the electronic properties and spin polarization of 2H VS2 nanoribbons by tuning ribbon widths and edge decoration

    R. Zhao, T. Wang, M. Zhao, C. Xia, Y. An and X. Dai, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP02933H

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