Department of Chemistry and Research Institute for Basic Sciences, Kyung Hee University, Seoul, 02447, Republic of Korea.
Department of Chemistry, North Carolina State University, Raleigh, NC, 27695-8204, USA.
Angew Chem Int Ed Engl. 2017 Aug 14;56(34):10196-10199. doi: 10.1002/anie.201701699. Epub 2017 Apr 25.
The feasibility of a single-domain ferromagnet based on uniaxial magnetic ions was examined. For a noncentrosymmetric uniaxial magnetic ion of magnetic moment μ at a site of local electric dipole moment p, it is unknown to date whether μ prefers to be parallel or antiparallel to μ. The nature of this magnetoelectric interaction was probed in terms of analogical reasoning based on the Rashba effect and density functional theory (DFT) calculations. We show that μ and p prefer an antiparallel arrangement, predict that Fe-doped CaZnOS is a single-domain ferromagnet like a bar magnet, and find the probable cause for the ferromagnetism and weak magnetization hysteresis in Fe-doped hexagonal ZnO and ZnS at very low dopant concentrations.
我们研究了基于单轴磁离子的单相亚铁磁体的可行性。对于磁矩为μ的非中心对称单轴磁离子，其磁矩μ相对于局部电偶极矩 p 的取向是平行还是反平行，目前尚不清楚。我们基于 Rashba 效应和密度泛函理论（DFT）计算进行类比推理，研究了这种磁电相互作用的性质。结果表明，μ和 p 优先呈反平行排列，预测 Fe 掺杂 CaZnOS 是一种类似于条形磁铁的单相亚铁磁体，并找到了在极低掺杂浓度下 Fe 掺杂六方 ZnO 和 ZnS 中出现铁磁性和弱磁滞的可能原因。
