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arXiv · 2402.01100

Two-dimensional 5d multiferroic W3Cl8: breathing Kagome lattice and tunable magneto-optical Kerr effect

Di Hu·Haoshen Ye·Ning Ding·Kaidi Xu·Shan-Shan Wang·Shuai Dong·Xiaoyan Yao
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Abstract

Owing to the strong spin-orbit coupling and the related fascinating physical properties, heavy 5d transition-metals exhibit desirable application prospects. However, up to now, the 5d magnetic materials are still very limited, especially very rare for tungsten. In this work, we theoretically predict a two-dimensional multiferroic W3Cl8 monolayer. Intrinsic 5d magnetism of tungsten is activated by the W ions' fractional valence in a breathing Kagome lattice of reduced effective dimension. A coplanar Y-type antiferromagnetism composed by ferromagnetic W3 trimers is confirmed as the magnetic ground state. The spontaneous ferroelectric polarization mainly originates from the ion displacement induced by the breathing distortion of Kagome lattice. An intrinsic magneto-optical Kerr effect with sizable Kerr angle can be observed to detect this trimeric Y-type antiferromagnetism, and it depends strongly on the detailed magnetic order. Thereby, we propose a general scheme for realizing more 5d magnetism in two-dimensional multiferroic systems.

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Di Hu, Haoshen Ye, Ning Ding, Kaidi Xu, Shan-Shan Wang, Shuai Dong, Xiaoyan Yao. 2024-02-02. Two-dimensional 5d multiferroic W3Cl8: breathing Kagome lattice and tunable magneto-optical Kerr effect. https://doi.org/10.1103/physrevb.109.014433

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