期刊
2D MATERIALS
卷 8, 期 4, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/2053-1583/ac152d
关键词
2D materials; ab-initio; density-functional theory; VOCl; FeOCl; layered magnetic oxides; Spintronics
资金
- Algerian Ministry of High Education and Scientific Research
- Ramon y Cajal programme (MINECO, Spain) [RYC2018-024024-I]
- Marie-Curie-COFUND program Nano TRAIN For Growth II [713640]
- Generalitat Valenciana [Prometeo2017/139,]
- FEDER/Junta de Andalucia CTEICU [PY18-4834]
- MINECO-Spain [PID2019-109539GB]
- Marie Curie Actions (MSCA) [713640] Funding Source: Marie Curie Actions (MSCA)
The electronic properties of the heterobilayer of vanadium and iron oxychlorides were studied, with weak interlayer coupling preserving the magnetic order of each monolayer in the heterobilayer, combining antiferromagnetic and ferromagnetic orders. Interlayer exchange should lead to exchange bias and the emergence of hybrid collective modes.
We study the electronic properties of the heterobilayer of vanadium and iron oxychlorides, VOCl and FeOCl, two layered air stable van der Waals insulating oxides with different types of antiferromagnetic order in bulk: VOCl monolayers are ferromagnetic (FM) whereas the FeOCl monolayers are antiferromagnetic (AF). We use density functional theory calculations, with Hubbard correction that is found to be needed to describe correctly the insulating nature of these compounds. We compute the magnetic anisotropy and propose a spin model Hamiltonian. Our calculations show that interlayer coupling is weak and hence the magnetic order of each monolayers is preserved in the heterobilayer. Thus, the heterobilayer combines antiferromagnetic and ferromagnetic orders. Interlayer exchange should lead both to exchange bias and to the emergence of hybrid collective modes that combine FM and AF magnons. The energy band of the heterobilayer show a type II band alignment, and feature spin-splitting of the states of the AF layer due to the breaking of the inversion symmetry.
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