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具有类 Kagomé 排布的 Co 离子层的亚硒酸盐-硒酸盐 Co(SeO)(SeO)(OH)中的磁相变级联和 1/3 磁化平台:确定正确自旋晶格的重要性。

A cascade of magnetic phase transitions and a 1/3-magnetization plateau in selenite-selenate Co(SeO)(SeO)(OH) with kagomé-like Co ion layer arrangements: the importance of identifying a correct spin lattice.

机构信息

Lomonosov Moscow State University, Moscow 119991, Russia.

National University of Science and Technology "MISiS", Moscow 119049, Russia.

出版信息

Dalton Trans. 2023 Jul 18;52(28):9664-9672. doi: 10.1039/d3dt01620j.

Abstract

We prepared a new compound, Co(SeO)(SeO)(OH), having layers in a kagomé-like arrangement of Co (spin = 3/2) ions. This phase crystallizes in the orthorhombic space group (62) with unit cell parameters = 11.225(9) Å, = 6.466(7) Å and = 11.530(20) Å. Its layers, parallel to the -plane, are made up of Co1O square pyramids and Co2O and Co3O octahedra. As the temperature is lowered, Co(SeO)(SeO)(OH) undergoes three successive magnetic transitions at 27.5, 19.4 and 8.1 K, and the magnetization of Co(SeO)(SeO)(OH) measured at 2.4 K exhibits a 1/3-magnetization plateau between 7.8 and 19.9 T. The - magnetic phase diagram constructed for Co(SeO)(SeO)(OH) from ac and dc magnetic susceptibility, specific heat and magnetization measurements contains three magnetic phases I, II and III. Phase I is antiferromagnetic, while phases II and III are ferrimagnetic and responsible for the 1/3-magnetization plateau. To interpret these complex magnetic properties, we identified the correct spin lattice for Co(SeO)(SeO)(OH) by evaluating its intralayer and interlayer spin exchanges based on spin-polarized DFT+ calculations.

摘要

我们制备了一种新的化合物 Co(SeO)(SeO)(OH),其具有类 kagomé 排列的 Co(自旋 = 3/2)离子层。该相在正交晶系空间群 (62)中结晶,具有晶胞参数 = 11.225(9) Å, = 6.466(7) Å 和 = 11.530(20) Å。其平行于 - 平面的层由 Co1O 四方锥和 Co2O 和 Co3O 八面体组成。随着温度降低,Co(SeO)(SeO)(OH) 在 27.5、19.4 和 8.1 K 处经历了三个连续的磁转变,在 2.4 K 下测量的 Co(SeO)(SeO)(OH) 的磁化强度在 7.8 和 19.9 T 之间表现出 1/3 磁化平台。从交流和直流磁化率、比热和磁化测量构建的 Co(SeO)(SeO)(OH) 的 - 磁相图包含三个磁相 I、II 和 III。相 I 是反铁磁性的,而相 II 和 III 是铁磁性的,负责 1/3 磁化平台。为了解释这些复杂的磁性,我们通过评估基于自旋极化 DFT+计算的 Co(SeO)(SeO)(OH) 的层内和层间自旋交换,确定了 Co(SeO)(SeO)(OH) 的正确自旋晶格。

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