Interlayer Magnetic Interaction in the CrI3/CrSe2 Heterostructure

Based on first-principles calculations,we systematically study the stacking energy and interlayer magnetic interaction of the heterobilayer composed of CrI3 and CrSe2 monolayers.It is found that the stacking order plays a crucial role in the interlayer magnetic coupling.Among all possible stacking s...

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Published inChinese physics letters Vol. 41; no. 5; pp. 85 - 89
Main Authors Wang, Qiu-Hao, Ni, Mei-Yan, Li, Shu-Jing, Zheng, Fa-Wei, Lu, Hong-Yan, Zhang, Ping
Format Journal Article
LanguageEnglish
Published Chinese Physical Society and IOP Publishing Ltd 01.05.2024
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Summary:Based on first-principles calculations,we systematically study the stacking energy and interlayer magnetic interaction of the heterobilayer composed of CrI3 and CrSe2 monolayers.It is found that the stacking order plays a crucial role in the interlayer magnetic coupling.Among all possible stacking structures,the AA-stacking is the most stable heterostructure,exhibiting interlayer antiferromagnetic interactions.Interestingly,the interlayer magnetic interaction can be effectively tuned by biaxial strain.A 4.3％compressive strain would result in a ferromagnetic interlayer interaction in all stacking orders.These results reveal the magnetic properties of CrI3/CrSe2 heterostructure,which is expected to be applied to spintronic devices.
ISSN:0256-307X
DOI:10.1088/0256-307X/41/5/057401