Prediction of a monolayer spin-spiral semiconductor: CoO with a honeycomb lattice

doi:10.1088/1674-1056/acd923

中国物理B ›› 2023, Vol. 32 ›› Issue (8): 87508-087508.doi: 10.1088/1674-1056/acd923

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. Pantelides^3,1, 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

收稿日期:2023-04-05 修回日期:2023-05-25 接受日期:2023-05-26 发布日期:2023-07-28
通讯作者: Yan-Fang Zhang, Shixuan Du E-mail:zhangyanfang@ucas.ac.cn;sxdu@iphy.ac.cn
基金资助:
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.

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. Pantelides^3,1, 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

Received:2023-04-05 Revised:2023-05-25 Accepted:2023-05-26 Published:2023-07-28
Contact: Yan-Fang Zhang, Shixuan Du E-mail:zhangyanfang@ucas.ac.cn;sxdu@iphy.ac.cn
Supported by:
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.

1. 2023-087508-SI.pdf(447KB)

摘要/Abstract

摘要： 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.

关键词: spin-spiral semiconductor, type-II multiferroic, bandgap engineering, monolayer CoO

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.

Key words: spin-spiral semiconductor, type-II multiferroic, bandgap engineering, monolayer CoO

中图分类号: (Magnetoelectric effects, multiferroics)

75.85.+t

75.70.Ak (Magnetic properties of monolayers and thin films) 75.47.Lx (Magnetic oxides) 75.50.Pp (Magnetic semiconductors)

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[J]. 中国物理B, 2023, 32(8): 87508-087508.

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Prediction of a monolayer spin-spiral semiconductor: CoO with a honeycomb lattice

Prediction of a monolayer spin-spiral semiconductor: CoO with a honeycomb lattice

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