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Unconventional deformation potential and half-metallicity in zigzag nanoribbons of 2D-Xenes

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Abstract

Realization of half-metallicity (HM) in low dimensional materials is a fundamental challenge for nano spintronics and a critical component for developing alternative generations of information technology. Using first-principles calculations, we reveal an unconventional deformation potential for zigzag nanoribbons (NRs) of 2D-Xenes. Both the conduction band minimum (CBM) and valence band maximum (VBM) of the edge states have negative deformation potentials. This unique property, combined with the localization and spin-polarization of the edge states, enables us to induce spin-splitting and HM using an inhomogeneous strain pattern, such as simple in-plane bending. Indeed, our calculation using the generalized Bloch theorem reveals the predicted HM in bent zigzag silicene NRs. Furthermore, the magnetic stability of the long range magnetic order for the spin-polarized edge states is maintained well against the bending deformation. These aspects indicate that it is a promising approach to realize HM in low dimensions with the zigzag 2D-Xene NRs.

Graphical abstract: Unconventional deformation potential and half-metallicity in zigzag nanoribbons of 2D-Xenes

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Article information


Submitted
27 Nov 2019
Accepted
01 Mar 2020
First published
02 Mar 2020

Phys. Chem. Chem. Phys., 2020, Advance Article
Article type
Paper

Unconventional deformation potential and half-metallicity in zigzag nanoribbons of 2D-Xenes

J. Shi, X. Zhao, G. Seifert, S. Wei and D. Zhang, Phys. Chem. Chem. Phys., 2020, Advance Article , DOI: 10.1039/C9CP06416H

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