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dc.contributor.authorWang, Qian
dc.contributor.authorHan, Nannan
dc.contributor.authorZhang, Xuyang
dc.contributor.authorZhang, Chenhui
dc.contributor.authorZhang, Xixiang
dc.contributor.authorCheng, Yingchun
dc.date.accessioned2021-04-18T07:45:17Z
dc.date.available2021-04-18T07:45:17Z
dc.date.issued2021-04-16
dc.date.submitted2021-01-30
dc.identifier.citationWang, Q., Han, N., Zhang, X., Zhang, C., Zhang, X., & Cheng, Y. (2021). Modulation of electronic and magnetic properties of monolayer chromium trihalides by alloy and strain engineering. Journal of Applied Physics, 129(15), 155104. doi:10.1063/5.0045893
dc.identifier.issn0021-8979
dc.identifier.issn1089-7550
dc.identifier.doi10.1063/5.0045893
dc.identifier.urihttp://hdl.handle.net/10754/668814
dc.description.abstractMonolayer CrI3 is a rare ferromagnetic semiconductor with intrinsic long-range magnetic order, which makes it a great potential material in spintronic devices [Song et al., Science 360, 1214 (2018)]. To extend the applications of monolayer CrI3 in flexible devices, the modulation of its electronic and magnetic properties is important. Here, we investigated the combined effect of strain and alloy on the properties of monolayer CrI3 by first-principles calculations. Br is chosen as the alloyed element due to the similar atomic configuration and property of CrX3 (X = Br, I), and the strain is applied by simultaneously changing the in-plane lattice constants (a and b). We find that the bandgap of monolayer Cr2I6−xBrx can be tuned greatly, while the magnetic moment of monolayer Cr2I6−xBrx is regulated very little under different strain and Br concentration. This unique property of monolayer Cr2I6−xBrx under strain makes it a good candidate for the flexible spintronic devices.
dc.description.sponsorshipThis work was financially supported by the Ningbo Natural Science Foundation (No. 202003N4056), the National Natural Science Foundation of China (NNSFC) (No. 11904288), the Fundamental Research Funds for the Central Universities, the Natural Science Basic Research Program of Shaanxi (No. 2020JQ-118), the Joint Research Funds of Department of Science & Technology of Shannxi Province and Northwestern Polytechnical University (Nos. 2020GXLH-Z-029, 2020GXLH-Z-026, and 2020GXLH-Z-020), and the project funded by the China Postdoctoral Science Foundation (No. 2019TQ0261). For computer time, this research used the resources of the Supercomputing Laboratory at King Abdullah University of Science & Technology (KAUST) in Thuwal, Saudi Arabia.
dc.publisherAIP Publishing
dc.relation.urlhttps://aip.scitation.org/doi/10.1063/5.0045893
dc.rightsPublished under an exclusive license by AIP Publishing.
dc.titleModulation of electronic and magnetic properties of monolayer chromium trihalides by alloy and strain engineering
dc.typeArticle
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of Applied Physics
dc.rights.embargodate2022-04-16
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionFrontiers Science Center for Flexible Electronics (FSCFE), Xi'an Institute of Flexible Electronics (IFE) and Xi'an Institute of Biomedical Materials & Engineering, Ningbo Institute of Northwestern Polytechnical University, Northwestern Polytechnical University (NPU), Xi'an 710072, China
dc.contributor.institutionKey Laboratory of Flexible Electronics & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, 30 South Puzhu Road, Nanjing 211816, China
dc.identifier.volume129
dc.identifier.issue15
dc.identifier.pages155104
kaust.personZhang, Chenhui
kaust.personZhang, Xixiang
dc.date.accepted2021-03-31
refterms.dateFOA2021-04-18T07:47:18Z
kaust.acknowledged.supportUnitSupercomputing Laboratory


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