Relationship between A-site cation and magnetic structure in 3d−5d−4f double perovskite iridates Ln2NiIrO6 ( Ln=La , Pr, Nd)
Relationship between A-site cation and magnetic structure in 3d−5d−4f double perovskite iridates Ln2NiIrO6 ( Ln=La , Pr, Nd)
复制标题
3d～5d～4f双钙钛矿铱酸盐Ln2NiIrO6（Ln=La、Pr、Nd）A位阳离子与磁性结构的关系
DOI：
10.1103/physrevmaterials.5.064408
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发表时间：
2021
影响因子：
3.4
通讯作者：
Loye, H.-C. zur
中科院分区：
文献类型：
--
作者：
Ferreira, T.;Calder, S.;Parker, D. S.;Upton, M. H.;Sefat, A. S.;Loye, H.-C. zur
我们报告了使用热力学和输运特性、中子粉末衍射、共振非弹性 X 射线散射和密度泛函理论 (DFT) 计算对 (, Pr, Nd) 进行的全面研究，以研究 A 位阳离子对该杂化组合物家族中磁相互作用的作用。使用中子衍射测定磁性结构揭示了反铁磁性，共线亚铁磁 Ni 和 Ir 态在 Nd 有序化开始时被驱动为长程反铁磁性，以及非共线亚铁磁 Ni 和 Ir 亚晶格与铁磁 Pr 晶格互穿。因为，热容量结果揭示了两个独立的磁性亚晶格的存在，而传输电阻率表明绝缘行为和热介导的传导路径。第一原理 DFT 计算阐明了内部两个独立磁性子晶格的存在，并提供了对 和 中行为的深入了解。对于所考虑的系列中的所有成员，共振非弹性 X 射线散射与自旋轨道耦合将八面体流形分裂成 a 和状态是一致的。
We report a comprehensive investigation of(, Pr, Nd) using thermodynamic and transport properties, neutron powder diffraction, resonant inelastic x-ray scattering, and density-functional theory (DFT) calculations to investigate the role of A-site cations on the magnetic interactions in this family of hybridcompositions. Magnetic structure determination using neutron diffraction reveals antiferromagnetism for, a collinear ferrimagnetic Ni and Ir state that is driven to long-range antiferromagnetism upon the onset of Nd ordering in, and a noncollinear ferrimagnetic Ni and Ir sublattice interpenetrated by a ferromagnetic Pr lattice for. For, heat-capacity results reveal the presence of two independent magnetic sublattices, and transport resistivity indicates insulating behavior and a conduction pathway that is thermally mediated. A first principles DFT calculation elucidates the existence of the two independent magnetic sublattices withinand offers insight into the behavior inand. Resonant inelastic x-ray scattering is consistent with spin-orbit coupling splitting themanifold of octahedralinto aandstate for all members of the series considered.