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dc.contributor.authorMelander, Marko
dc.contributor.authorJonsson, Hannes
dc.date.accessioned2019-11-29T07:28:32Z
dc.date.available2019-11-29T07:28:32Z
dc.date.issued2019
dc.identifier.citationMelander, M., & Jonsson, H. (2019). Effect of H adsorption on the magnetic properties of an Fe island on a W(110) surface. <i>Physical Review B</i>, <i>100</i>(17), Article 174431. <a href="https://doi.org/10.1103/PhysRevB.100.174431" target="_blank">https://doi.org/10.1103/PhysRevB.100.174431</a>
dc.identifier.otherCONVID_33644212
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/66572
dc.description.abstractLow-dimensional materials, such as ultrathin films, nanoislands, and wires, are actively being studied due to their interesting magnetic properties and possible technological applications for example in high density data storage. Results of density functional theory calculations within the generalized gradient approximation of an Fe nanoisland on a W(110) surface are presented here with particular focus on the effect of hydrogen adsorption on magnetic properties. The adsorption is found to strongly decrease the magnetic moment of the Fe atoms the H atoms are bound to, down to less than a half in some cases as compared with the clean Fe island. This is an important consideration since hydrogen can relatively easily be introduced and removed from the system, thus providing a way of tuning magnetic properties, and it can also be unintentionally present even under ultrahigh vacuum conditions, especially at low temperature.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical Review B
dc.rightsIn Copyright
dc.subject.otherelectronic structure
dc.subject.otherfirst-principles calculations
dc.subject.othermagnetism
dc.titleEffect of H adsorption on the magnetic properties of an Fe island on a W(110) surface
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201911295058
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.relation.issn2469-9950
dc.relation.numberinseries17
dc.relation.volume100
dc.type.versionpublishedVersion
dc.rights.copyright© 2019 American Physical Society
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber307853
dc.subject.ysonanorakenteet
dc.subject.ysomagneettiset ominaisuudet
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p25315
jyx.subject.urihttp://www.yso.fi/onto/yso/p597
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1103/PhysRevB.100.174431
dc.relation.funderResearch Council of Finlanden
dc.relation.funderSuomen Akatemiafi
jyx.fundingprogramPostdoctoral Researcher, AoFen
jyx.fundingprogramTutkijatohtori, SAfi
jyx.fundinginformationM.M. acknowledges funding by the Academy of Finland (Project No. 307853). H.J. acknowledges funding from the Icelandic Research Fund. Computational resources were provided by CSC IT CENTER FOR SCIENCE LTD.
dc.type.okmA1


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