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Prediction of a monolayer spin-spiral semiconductor: CoO with a honeycomb lattice |
| Jie Zhang(张杰)1,2, Shunuo Song(宋姝诺)1, Yan-Fang Zhang(张艳芳)1,†, Yu-Yang Zhang(张余洋)1, Sokrates T. Pantelides3,1, and Shixuan Du(杜世萱)1,2,4,‡ |
1. Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, China;
2. Beijing National Laboratory for Condensed Matter Physics, Beijing 100190, China;
3. Department of Physics and Astronomy and Department of Electrical and Computer Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA;
4. Songshan Lake Materials Laboratory, Dongguan 523808, China |
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Abstract The recent successful fabrication of two-dimensional (2D) CoO with nanometer-thickness motivates us to investigate monolayer CoO due to possible magnetic properties induced by Co atoms. Here, we employ first-principles calculations to show that monolayer CoO is a 2D spin-spiral semiconductor with a honeycomb lattice. The calculated phonon dispersion reveals the monolayer's dynamical stability. Monolayer CoO exhibits a type-I spin-spiral magnetic ground state. The spin-spiral state and the direct bandgap character are both robust under biaxial compressive strain (-5%) to tensile strain (5%). The bandgap varies only slightly under either compressive or tensile strain up to 5%. These results suggest a potential for applications in spintronic devices and offer a new platform to explore magnetism in the 2D limit.
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Received: 05 April 2023
Revised: 25 May 2023
Accepted manuscript online: 26 May 2023
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PACS:
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75.85.+t
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(Magnetoelectric effects, multiferroics)
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75.70.Ak
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(Magnetic properties of monolayers and thin films)
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75.47.Lx
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(Magnetic oxides)
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75.50.Pp
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(Magnetic semiconductors)
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| Fund: This work was supported by grants from the National Natural Science Foundation of China (Grant Nos.52102193, 52250402, and 61888102), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No.XDB30000000),and the Fundamental Research Funds for the Central Universities. |
Corresponding Authors:
Yan-Fang Zhang, Shixuan Du
E-mail: zhangyanfang@ucas.ac.cn;sxdu@iphy.ac.cn
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Cite this article:
Jie Zhang(张杰), Shunuo Song(宋姝诺), Yan-Fang Zhang(张艳芳),Yu-Yang Zhang(张余洋), Sokrates T. Pantelides, and Shixuan Du(杜世萱) Prediction of a monolayer spin-spiral semiconductor: CoO with a honeycomb lattice 2023 Chin. Phys. B 32 087508
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