论文标题
揭开SM 4F电子在SMFeo $ _3 $的磁性中的作用
Unravelling the role of Sm 4f electrons in the magnetism of SmFeO$_3$
论文作者
论文摘要
磁性稀土矫正器$ r $ feo $ _3 $拥有各种功能属性，从多效性和强大的磁曲，到旋转抗压转变和超快对磁性的轻度操纵，这些操纵可以在纺纱和下一代设备中利用。在这些系统中，Smfeo $ _3 $对其丰富相图和高温Fe-Spin磁过渡引起了特别的兴趣，该转换与非常低的温度和尚不清楚的SM-SPIN排序相结合。各种实验表明，SM和Fe磁矩（由磁各向异性进一步支撑）之间的相互作用是复杂的过渡级联的起源，但是尚未达到结论性和清晰的图片。在这项工作中，通过全面的第一原理计算，我们揭示了磁性SM离子在Fe-Spin重新定位转变中的作用以及在晶格振动频谱中检测到的异常中的作用，这是相关旋转量耦合的签名。通过包括SM-$ f $电子和非电视磁性，我们发现沮丧和各向异性SM相互作用，以及由SM-4F $电子的SOC介导的大磁晶型各向异性，这驱动了SMFEO $ _3 $ _3 $的复杂磁性和相位图。
Magnetic rare-earth orthoferrites $R$FeO$_3$ host a variety of functional properties from multiferroicity and strong magnetostriction, to spin-reorientation transitions and ultrafast light-driven manipulation of magnetism, which can be exploited in spintronics and next-generation devices. Among these systems, SmFeO$_3$ is attracting a particular interest for its rich phase diagram and the high temperature Fe-spin magnetic transitions, which combines with a very low temperature and as yet unclear Sm-spin ordering. Various experiments suggest that the interaction between the Sm and Fe magnetic moments (further supported by the magnetic anisotropy), is at the origin of the complex cascade of transitions, but a conclusive and clear picture has not yet been reached. In this work, by means of comprehensive first-principles calculations, we unravel the role of the magnetic Sm ions in the Fe-spin reorientation transition and in the detected anomalies in the lattice vibrational spectrum, which are a signature of a relevant spin-phonon coupling. By including both Sm-$f$ electrons and non-collinear magnetism, we find frustrated and anisotropic Sm interactions, and a large magnetocrystalline anisotropy mediated by the SOC of the Sm-$4f$ electrons, which drive the complex magnetic properties and phase diagram of SmFeO$_3$.
