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Study of nontrivial magnetism in 3d-5d transition metal based double perovskites

机译：3d-5d过渡金属基钙钛矿中非平凡磁性的研究

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摘要

The coexistence of the strongly correlated 3d transition metal (TM) atom and the strong spin-orbit coupling of the 5d TM atom potentially hosts exotic physical phenomena. In the present work, we have studied the magnetism resulting from such a coexistence in La_2CoIrO_6 (LCIO), a representative of bulk 3d-5d double perovskites. In order to gain further insight into the effect of Co-d states on the Ir-d states, comparisons are carried out with the isostructural La_2ZnIrO_6, where the nonmagnetic Zn atom replaces the Co atom. An in-depth analysis of the magnetic states in the framework of first-principles calculations, using Landau theory and magnetic multipole analysis, shows that the magnetism at the two constituent TM atoms in LCIO is driven by two different magnetic order parameters, viz., the spin moment as the primary order parameter responsible for the broken time-reversal state in Co and the higher-order multipole: the triakontadipole for the Ir magnetic state. A tight-binding analysis with the Ir-t_(2g)orbitals further indicates that the Ir-d states are hardly affected by the Co-d states, in agreement with the multipole analysis. The computed hierarchy of the relevant multipoles in the present work can be probed in neutron diffraction measurements, motivating further experiments in this direction.
机译：强相关的3d过渡金属（TM）原子与5d TM原子的强自旋轨道耦合并存，有可能带来奇异的物理现象。在目前的工作中，我们研究了La_2CoIrO_6（LCIO）中这种共存所产生的磁性，La_2CoIrO_6是3d-5d双层钙钛矿的代表。为了进一步了解Co-d态对Ir-d态的影响，与同构La_2ZnIrO_6（其中非磁性Zn原子代替Co原子）进行了比较。使用Landau理论和磁多极分析对第一性原理计算框架中的磁态进行了深入分析，结果表明LCIO中两个组成的TM原子处的磁由两个不同的磁阶参数驱动，即自旋矩是负责Co和更高阶多极子中打破时间反转状态的主要阶数参数：Ir磁态的三偶极子。与多极子分析一致，对Ir-t_（2g）轨道的紧密结合分析进一步表明，Ir-d状态几乎不受Co-d状态的影响。可以在中子衍射测量中探究当前工作中相关多极的计算层次，从而推动该方向的进一步实验。

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  • 来源
    《Physical review》 |2020年第8期|085104.1-085104.9|共9页
  • 作者

    Shreemoyee Ganguly; Sayantika Bhowal;

  • 作者单位

    Department of Basic Science and Humanities University of Engineering and Management University Area Kolkata 700 160 India;

    School of Physical Sciences Indian Association for the Cultivation of Science Jadavpur Kolkata 700 032 India Department of Physics and Astronomy University of Missouri Columbia Missouri 65211 USA;

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