反铁磁性
多铁性
正交晶系
晶体结构
凝聚态物理
磁性结构
中子衍射
极地的
结晶学
材料科学
密度泛函理论
八面体
化学
铁电性
电介质
物理
计算化学
磁化
磁场
量子力学
光电子学
作者
Premakumar Yanda,Arijit Sinha,Umesh V. Waghmare,Emmanuelle Suard,J. Rodrı́guez-Carvajal,A. Sundaresan
标识
DOI:10.1021/acs.chemmater.4c01592
摘要
Cation-ordered polar (Pna21) materials RFeWO6 (R = rare earth) have gained significant attention due to their multiferroic properties. These materials are derived from the parent aeschynite-type material CaTa2O6 possessing a centrosymmetric orthorhombic structure (Pnma). The ordering of M3+ and W6+ ions in the octahedral sites with distinct Wyckoff positions breaks the inversion symmetry of the parent structure. Our investigation of TbFeWO6 using symmetry-adapted mode analysis, neutron powder diffraction, and density functional theory calculations (DFT) has revealed that the ordered polar (Pna21) structure can emerge from ordered centrosymmetric (Pnam or Pnan) structures through the relaxation of stress. Our low-temperature neutron diffraction experiments have provided evidence of a noncollinear commensurate magnetic structure exhibiting polar magnetic symmetry m (magnetic space group: Cac), consistent with the observed additional polarization below TN. Based on the spin structure, we propose that the mechanisms of exchange striction and/or inverse Dzyaloshinskii-Moriya may serve as origins of the multiferroic behavior exhibited by these materials.
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