Affiliation of Author(s):航空学院

Journal:JOURNAL OF PHYSICAL CHEMISTRY C

Abstract:To explore the coupling of spin magnetization and charge polarization is an intriguing aspect for low-dimensional materials. Here, we use first-principles calculations to unveil a particular magnetoelectric state consisting of flexomagnetism and flexoelectricity in VSe2 monolayers when 2 they are wrinkled or corrugated. Due to the anomalous V-Se bond structures caused by the flexural deformation and the resulting discontinuous and inhomogeneous strain gradients, the magnetic moments of V atoms fluctuate sharply with the strain gradients and are dominated by the relative bond changes between their adjacent V atoms. Meanwhile, out-of-plane polarizations occur at the wrinkled VSe2 monolayers. The magnetism and polarization of the VSe2 monolayer can be simultaneously tuned by modifying the strain gradient and corrugation geometry. Our results highlight a possible route of utilizing the mechanical and structural design to achieve the desired magnetoelectric functionality in two-dimensional materials.

ISSN No.:1932-7447

Translation or Not:no

Date of Publication:2019-10-10

Co-author:Shi, Wenhao,Zhuhua Zhang,Guo Wanlin

Correspondence Author:Guo Yufeng