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Ferroelectricity and ferromagnetism in a VOI2monolayer: Role of Dzyaloshinskii-Moriya interaction
Physical Review B ( IF 3.7 ) Pub Date : 
Ning Ding, Jun Chen, Shuai Dong, Alessandro Stroppa

Multiferroics with intrinsic ferromagnetism and ferroelectricity are highly desired but rather rare, while most ferroelectric magnets are antiferromagnetic. A recent theoretical work [Phys. Rev. B 99, 195434 (2019)] predicted that oxyhalides VOX2 (X: halogen) monolayers are two-dimensional multiferroics by violating the empirical d0 rule. Most interestingly, the member VOI2 are predicted to exhibit spontaneous ferromagnetism and ferroelectricity. In this work, we extend the previous study on the structure and magnetism of VOI2 monolayer by using density functional theory and Monte Carlo simulation. The presence of the heavy element iodine with a strong spin-orbit coupling leads an effective Dzyaloshinskii-Moriya interaction in the polar structure, which favors a short-period spiral a magnetic structure.. Another interesting result is that the on-site Coulomb interaction can strongly suppress the polar distortion thus leading to a ferromagnetic metallic state. Therefore, the VOI2 monolayer is either a ferroelectric insulator with spiral magnetism or a ferromagnetic metal, instead of a ferromagnetic ferroelectric system. Our study highlights the key physical role of the Dzyaloshinskii-Moriya interaction. * Corresponding author. Emails: {sdong@seu.edu.cn} Corresponding author. Email: {alessandro.stroppa@aquila.infn.it …

中文翻译:

VOI2单层中的铁电和铁磁性:Dzyaloshinskii-Moriya相互作用的作用

具有内在铁磁性和铁电性的多铁磁性是非常需要的,但是相当罕见,而大多数铁电磁体是反铁磁性的。最近的理论著作[Phys。B 99,195434(2019),修订版]预测卤氧化物VOX2X:卤素)单层是二维多铁性,违反了经验 d0规则。最有趣的是,VOI会员2预计会表现出自发的铁磁性和铁电。在这项工作中,我们扩展了对VOI的结构和磁性的先前研究。2单层通过使用密度泛函理论和蒙特卡罗模拟。具有强自旋轨道耦合的重元素碘的存在导致极性结构中有效的Dzyaloshinskii-Moriya相互作用,这有利于磁性结构的短周期螺旋。另一个有趣的结果是,现场库仑相互作用可以强烈抑制极性畸变,从而导致铁磁金属态。因此,VOI2单层是具有螺旋磁性的铁电绝缘体或铁磁金属,而不是铁磁铁电系统。我们的研究突出了Dzyaloshinskii-Moriya相互作用的关键物理作用。*通讯作者。电子邮件:{sdong@seu.edu.cn}通讯作者。电子邮件:{alessandro.stroppa@aquila.infn.it…
更新日期:2020-09-21
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