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dc.contributor.authorChaboy, Jesús-
dc.contributor.authorMaruyama, H.-
dc.contributor.authorKawamura, N.-
dc.date.accessioned2009-12-09T11:04:57Z-
dc.date.available2009-12-09T11:04:57Z-
dc.date.issued2007-05-01-
dc.identifier.citationJournal of Physics: Condensed Matter 19(21): 216214 (2007)en_US
dc.identifier.issn0953-8984-
dc.identifier.urihttp://hdl.handle.net/10261/19414-
dc.description9 pages, 4 figures.en_US
dc.description.abstractThis work reports a theoretical x-ray absorption near-edge structure (XANES) spectroscopy study at the Mn K-edge in several Mn3MC (M = Sn, Zn and Ga) compounds. Comparison of the experimental Mn K-edge XANES spectra and theoretical computations based on multiple scattering theory shows that standard single-channel calculations are not able to reproduce the experimental spectra. The comparison between experimental data and ab initio computations indicates the need to include the charge transfer and hybridization between the absorbing Mn atom and the two nearest neighbour C atoms.en_US
dc.description.sponsorshipThis work was partially supported by the Spanish CICYT (grant MAT2005-06806-C04-04). This work was supported by the Japanese Society for the Promotion of Science: Invitation Fellowship Program for Research in Japan (short term). The synchrotron radiation experiments were performed at SPring-8 (proposals 200A0383-NS-np and 2003A0652-NS2-np).en_US
dc.format.extent10752 bytes-
dc.format.mimetypeapplication/octet-stream-
dc.language.isoengen_US
dc.publisherInstitute of Physics Publishing-
dc.rightsclosedAccessen_US
dc.titleAb initio x-ray absorption study of Mn K-edge XANES spectra in Mn3MC (M = Sn, Zn and Ga) compoundsen_US
dc.typeartículoen_US
dc.identifier.doi10.1088/0953-8984/19/21/216214-
dc.description.peerreviewedPeer revieweden_US
dc.relation.publisherversionhttp://dx.doi.org/10.1088/0953-8984/19/21/216214en_US
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.languageiso639-1en-
item.fulltextNo Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
item.grantfulltextnone-
item.openairetypeartículo-
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