Show simple item record

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorAL ALAM, Adel F.
dc.date.issued2008
dc.identifier.issn1367-2630
dc.description.abstractEnThe electronic and magnetic properties and the chemical bonding in recently evidenced U2Ni2SnH2 are self-consistently calculated within the local spin density-functional (LSDF) theory using the scalar-relativistic augmented spherical wave (ASW) method. Trends of the magnetism are discussed in terms of the changes brought by hydrogen within the pure U2Ni2Sn alloy system from both the volume expansion simulating negative pressure and the bonding between H and lattice constituents U, Ni and Sn pointing to a larger Ni–H bonding versus U–H. The ground state is found to be antiferromagnetic in agreement with experiment. Considering the relativistic effects of spin–orbit coupling an ordered magnetic moment, mU=1 μB is calculated for U(5f), close to the experimental magnitude of mU=0.83 μB.
dc.language.isoen
dc.publisherInstitute of Physics: Open Access Journals
dc.subject.enElectronic
dc.subject.enMagnetic structures
dc.subject.enInorganic compounds
dc.title.enFirst principles study of the electronic and magnetic structures of U2Ni2SnH2
dc.typeArticle de revue
dc.identifier.doi10.1088/1367-2630/10/8/083013
dc.subject.halChimie/Matériaux
bordeaux.journalNew Journal of Physics
bordeaux.page083013 (11 p.)
bordeaux.volume10
bordeaux.issue8
bordeaux.peerReviewedoui
hal.identifierhal-00319594
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00319594v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=New%20Journal%20of%20Physics&rft.date=2008&rft.volume=10&rft.issue=8&rft.spage=083013%20(11%20p.)&rft.epage=083013%20(11%20p.)&rft.eissn=1367-2630&rft.issn=1367-2630&rft.au=MATAR,%20Samir%20F.&AL%20ALAM,%20Adel%20F.&rft.genre=article


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record