论文标题
多效CRPSE $ _3 $中的平面两极分化和拓扑磁涡旋
Out-of-plane polarization and topological magnetic vortices in multiferroic CrPSe$_3$
论文作者
论文摘要
二维（2D）多表色材料是探索不同铁阶之间的新耦合机制并产生具有潜在应用的新型量子现象的理想系统。我们采用了第一原理密度的功能理论计算来发现CRPSE $ _3 $的内在铁电和抗铁电阶段，该阶段显示了铁磁秩序，并与中心对称阶段竞争具有反铁磁序的中心对称阶段。我们的分析表明，这种I型多性相位的电偶极子来自由于立体活性孤对而引起的磷离子的平面外位移。极性和磁性之间的耦合通过使用平面外电场从中心对称转换为铁电相，从而为调谐磁接地状态创造了机会。在铁电和抗抗逆抗阶段中，易于平面各向异性和dzyaloshinskii-moriya相互作用（DMI）的组合表明它们可以托管诸如梅隆对等拓扑磁性涡流。
Two-dimensional (2D) multiferroic materials are ideal systems for exploring new coupling mechanisms between different ferroic orders and producing novel quantum phenomena with potential applications. We employed first-principles density functional theory calculations to discover intrinsic ferroelectric and anti-ferroelectric phases of CrPSe$_3$, which show ferromagnetic order and compete with the centrosymmetric phase with an antiferromagnetic order. Our analysis show that the electrical dipoles of such type-I multiferroic phases come from the out-of-plane displacements of phosphorus ions due to the stereochemically active lone pairs. The coupling between polar and magnetic orders creates the opportunity for tunning the magnetic ground state by switching from the centrosymmetric to the ferroelectric phase using an out-of-plane electric field. In ferroelectric and antiferroelectric phases, the combination of easy-plane anisotropy and Dzyaloshinskii-Moriya interactions (DMI) indicate they can host topological magnetic vortices like meron pairs.
