Electronic Structure and Ferromagnetism Modulation in Cu/Cu₂O Interface: Impact of Interfacial Cu Vacancy and Its Diffusion

dc.contributor.authorLi, Hao-Boen_US
dc.contributor.authorWang, Weichaoen_US
dc.contributor.authorXie, Xinjianen_US
dc.contributor.authorCheng, Yahuien_US
dc.contributor.authorZhang, Zhaofuen_US
dc.contributor.authorDong, Hongen_US
dc.contributor.authorZheng, Rongkunen_US
dc.contributor.authorWang, Wei-Huaen_US
dc.contributor.authorLu, Fengen_US
dc.contributor.authorLiu, Huien_US
dc.contributor.utdAuthorWang, Weichao
dc.date.accessioned2016-07-01T14:09:37Z
dc.date.available2016-07-01T14:09:37Z
dc.date.created2015-10-19
dc.descriptionIncludes supplementary informationen_US
dc.description.abstractCu/Cu₂O composite structures have been discovered to show sizable ferromagnetism (FM) with the potential applications in spintronic devices. To date, there is no consensus on the FM origin in Cu/Cu₂O systems. Here, first principles calculations are performed on the interface structure to explore the microscopic mechanism of the FM. It is found that only the Cu vacancy (VCu) adjacent to the outermost Cu₂O layer induces a considerable magnetic moment, mostly contributed by 2p orbitals of the nearest-neighbor oxygen atom (O_(NN)) with two dangling bonds and 3d orbitals of the Cu atoms bonding with the (O_(NN)). Meanwhile, the charge transfer from Cu to Cu₂O creates higher density of states at the Fermi level and subsequently leads to the spontaneous FM. Furthermore, the FM could be modulated by the amount of interfacial VCu, governed by the interfacial Cu diffusion with a moderate energy barrier (~1.2 eV). These findings provide insights into the FM mechanism and tuning the FM via interfacial cation diffusion in the Cu/Cu₂O contact.en_US
dc.description.sponsorshipThis work was supported by the NSF of China (Nos 11104148, 51171082, 11304161 and 11404172), 1000 youth talents plan, Tianjin NSF (Nos 13JCYBJC41100, 14JCZDJC37700 and 13JCQNJC02800), the National Basic Research Program of China (973 Program with No 2014CB931703), the SRFDP (20110031110034), and Fundamental Research Funds for the Central Universities.en_US
dc.identifier.bibliographicCitationLi, Hao-Bo, Weichao Wang, Xinjian Xie, Yahui Cheng, et al. 2015. "Electronic Structure and Ferromagnetism Modulation in Cu/Cu2O Interface: Impact of Interfacial Cu Vacancy and Its Diffusion." Scientific Reports 5: 15191-15191.en_US
dc.identifier.issn2045-2322en_US
dc.identifier.urihttp://hdl.handle.net/10735.1/4851
dc.identifier.volume5en_US
dc.publisherNature Publishing Groupen_US
dc.relation.urihttp://dx.doi.org/10.1038/srep15191en_US
dc.rightsCC BY 4.0 (Attribution) Licenseen_US
dc.rights©2015 The Authorsen_US
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en_US
dc.source.journalScientific Reportsen_US
dc.subjectFerromagnetismen_US
dc.subjectElectronic structureen_US
dc.subjectCopperen_US
dc.subjectCopper oxideen_US
dc.titleElectronic Structure and Ferromagnetism Modulation in Cu/Cu₂O Interface: Impact of Interfacial Cu Vacancy and Its Diffusionen_US
dc.type.genrearticleen_US

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