Nonlocal XANES pre-edge feature of FeTiO3 ilmenite-type at Ti and Fe K-edge

Simple item page
dc.contributor.authorWeerachon Phoohinkong
dc.contributor.authorKanokthip Boonyarattanakalin
dc.contributor.authorWanichaya Mekprasart
dc.contributor.authorSorapong Pavasupree
dc.contributor.authorWisanu Pecharapa
dc.contributor.correspondenceW. Pecharapa; College of Nanotechnology, King Mongkut's Institute of Technology Ladkrabang, Ladkrabang, 10520, Thailand; email: kpewisan@gmail.com
dc.date.accessioned2025-03-10T07:36:05Z
dc.date.available2025-03-10T07:36:05Z
dc.date.issued2020
dc.description.abstractThe pre-K-edge feature of Ti and Fe XANES of ilmenite FeTiO3 were investigated. The electronic structure of FeTiO3 was examined based on the partial density of electronic state distribution on both local and nonlocal atoms. A strong contribution of nonlocal metal-metal intervalence electronic states of Ti and Fe pre-K-edge was observed in X-ray absorption near-edge structure (XANES) measurement. This observation agrees well with the calculated local state density. The nonlocal excitation transitions in the pre-edge feature contribute to local pre-K-edge at both Ti and Fe. Ti pre-K-edge consists of highly hybridized Ti-3d(t2g) with a small part of dipole-allowed 4p and a small 4s density transition state feature which is predominated by nonlocal of Fe-3d mixed with 4p state delocalized via O-2p as the main component peak. The peak feature at Ti-3d(eg) energy state is assigned to hybridization of Ti-3d(eg) and Ti-4p state contributed with nonlocal of the hybridized Fe-sp and the Ti-pd state. Fe pre-K-edge shows two main prominent transition peaks of hybridized Fe-pd state and the delocalized local Fe-sp with nonlocal Ti-3d(t2g) and 4p mixing states centered at 7112.38 and 7116.48 eV, respectively. The local and nonlocal excited transition energy states and density of both Ti pre-K-edge and Fe pre-K-edge features are corresponded with each other through the O-2p state transition pathway. © 2020 Elsevier Ltd
dc.identifier.citationRadiation Physics and Chemistry
dc.identifier.doi10.1016/j.radphyschem.2020.108919
dc.identifier.issn0969806X
dc.identifier.scopus2-s2.0-85083257873
dc.identifier.urihttps://repository.dusit.ac.th//handle/123456789/4774
dc.languageEnglish
dc.publisherElsevier Ltd
dc.rights.holderScopus
dc.subjectFeTiO<sub>3</sub>
dc.subjectIlmenite
dc.subjectPre-K-Edge
dc.subjectXANES
dc.titleNonlocal XANES pre-edge feature of FeTiO3 ilmenite-type at Ti and Fe K-edge
dc.typeArticle
mods.location.urlhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85083257873&doi=10.1016%2fj.radphyschem.2020.108919&partnerID=40&md5=943394672ae1cf50dfc0849262e9cf20
oaire.citation.volume174
Files
Collections
SCOPUS 2020