The fascinating properties arising from the interaction between different ferroic states of two-dimensional(2D) materials have inspired tremendous research interest in the past few years.Under the first-principles cal...The fascinating properties arising from the interaction between different ferroic states of two-dimensional(2D) materials have inspired tremendous research interest in the past few years.Under the first-principles calculations,we predict the coexistence of antiferromagnetic and ferroelastic states in VOX(X=Cl,Br,I) monolayers.The results illustrate that the VOX monolayers exhibit indirect bandgap characteristics,i.e.,their gaps decrease with the halide elements changing from Cl to I.The ground states of all these VOX monolayers are antiferromagnetic(AFM) with the magnetic moments contributed by the V 3d electrons.Furthermore,the magnetic ground state changing from AFM to ferromagnetism(FM) can be realized by doping carriers.In addition,the moderate ferroelastic transition barrier and reversible switching signal ensure their high performances of nonvolatile memory devices.Our findings not only offer an ideal platform for investigating the multiferroic properties,but also provide candidate materials for potential applications in spintronics.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12104344 and 61674003)the Shandong Provincial Natural Science Foundation,China(Grant No.ZR2021QA096)+1 种基金the Science and Technology Development Program of Weifang High-tech Industrial Development Zone,China(Grant No.2020KJHM03)the Doctoral Research Start-up Foundation of Weifang University,China(Grant No.2021BS05)。
文摘The fascinating properties arising from the interaction between different ferroic states of two-dimensional(2D) materials have inspired tremendous research interest in the past few years.Under the first-principles calculations,we predict the coexistence of antiferromagnetic and ferroelastic states in VOX(X=Cl,Br,I) monolayers.The results illustrate that the VOX monolayers exhibit indirect bandgap characteristics,i.e.,their gaps decrease with the halide elements changing from Cl to I.The ground states of all these VOX monolayers are antiferromagnetic(AFM) with the magnetic moments contributed by the V 3d electrons.Furthermore,the magnetic ground state changing from AFM to ferromagnetism(FM) can be realized by doping carriers.In addition,the moderate ferroelastic transition barrier and reversible switching signal ensure their high performances of nonvolatile memory devices.Our findings not only offer an ideal platform for investigating the multiferroic properties,but also provide candidate materials for potential applications in spintronics.
