论文标题
$ \ rm ca_2 ru o_4 $的三个轨道模型中的磁重新定位过渡 - 自旋 - 轨耦合，四方变形和库仑相互作用的相互作用
Magnetic reorientation transition in a three orbital model for $\rm Ca_2 Ru O_4$ -- Interplay of spin-orbit coupling, tetragonal distortion, and Coulomb interactions
论文作者
论文摘要
在自我一致的三轨模型中，包括$ 4D^4 $复合$ \ rm ca_2 ru o_4 $在自我一致地确定磁性顺序中的轨道偏外旋转和电荷冷凝物，揭示了许多新颖的功能，包括强的和各向异性的旋转旋转（SOC）恢复型和恢复型的强度，或者是强度的，或者是强度的磁性或强度，或者是强度或强度的磁性磁性或强度。重新定位过渡。强调轨道几何形状和重叠之间的丰富相互作用，自旋轨道耦合，库仑相互作用，四方扭曲和交错的八面体倾斜和旋转，我们的研究产生了平面的抗铁药（AFM）订单，可与中度的四边形$ $ $ $ $ a $ a andis andies andies andiis andiis andiis andies andiis组合在一起。 $ yz，xz $轨道时刻。随着四方变形的减少，我们发现磁性重新定位从主要的平面AFM订单到主要$ c $ axis铁磁（FM）订单，具有明显的$ xy $ borbital矩。
Including the orbital off-diagonal spin and charge condensates in the self consistent determination of magnetic order within a realistic three-orbital model for the $4d^4$ compound $\rm Ca_2 Ru O_4$, reveals a host of novel features including strong and anisotropic spin-orbit coupling (SOC) renormalization, coupling of strong orbital magnetic moments to orbital fields, and a magnetic reorientation transition. Highlighting the rich interplay between orbital geometry and overlap, spin-orbit coupling, Coulomb interactions, tetragonal distortion, and staggered octahedral tilting and rotation, our investigation yields a planar antiferromagnetic (AFM) order for moderate tetragonal distortion, with easy $a-b$ plane and easy $b$ axis anisotropies, along with small canting of the dominantly $yz,xz$ orbital moments. With decreasing tetragonal distortion, we find a magnetic reorientation transition from the dominantly planar AFM order to a dominantly $c$ axis ferromagnetic (FM) order with significant $xy$ orbital moment.
