Article

Evidence of the Existence of Magnetism in Pristine VX2 Monolayers (X = S, Se) and Their Strain-Induced Tunable Magnetic Properties

School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People’s Republic of China
ACS Nano, 2012, 6 (2), pp 1695–1701
DOI: 10.1021/nn204667z
Publication Date (Web): January 20, 2012
Copyright © 2012 American Chemical Society
*Address correspondence to daiy60@sina.com.

Abstract

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First-principles calculations are performed to study the electronic and magnetic properties of VX2 monolayers (X = S, Se). Our results unveil that VX2 monolayers exhibit exciting ferromagnetic behavior, offering evidence of the existence of magnetic behavior in pristine 2D monolayers. Furthermore, interestingly, both the magnetic moments and strength of magnetic coupling increase rapidly with increasing isotropic strain from −5% to 5% for VX2 monolayers. It is proposed that the strain-dependent magnetic moment is related to the strong ionic–covalent bonds, while both the ferromagnetism and the variation in strength of magnetic coupling with strain arise from the combined effects of both through-bond and through-space interactions. These findings suggest a new route to facilitate the design of nanoelectronic devices for complementing graphene.

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Article Views: 5,100 Times
Received 1 December 2011
Date accepted 20 January 2012
Published online 20 January 2012
Published in print 28 February 2012
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