Transformation of bonds and redistribution of partial states of valence electrons at ?(?23)-WGe 2 ??(?11b )-WGe 2 high-pressure polymorphic transformation

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dc.authorid0000-0001-8171-0757
dc.authorid0000-0001-9528-1850
dc.authorid0000-0002-2403-8607
dc.authorid0000-0001-6289-9320
dc.authorid0000-0002-4011-1720
dc.contributor.authorYa, Zaulychnyy
dc.contributor.authorBölen, E.
dc.contributor.authorKarpets, M.
dc.contributor.authorPetrovska, S.
dc.contributor.authorKhyzhun, O.
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÖzışık, H.
dc.date.accessioned2023-10-03T11:43:48Z
dc.date.available2023-10-03T11:43:48Z
dc.date.issued2023
dc.departmentSağlık Hizmetleri Meslek Yüksekokulu
dc.description.abstractThe electronic properties and phase transition of ?(C11b)-WGe2 and ?(C23)-WGe2 phases were investigated via x-ray emission spectroscopy method and first-principles calculations. The analysis of the comparison of the partial energy distributions of the valence electrons of the ?(C11b)-WGe2 and ?(C23)-WGe2 phases was also studied. The transformation of interatomic bonds during the polymorphic transition ?(C23)-WGe2??(C11b)-WGe2 under comprehensive compression was proposed. The first-principles calculations showed that the phase transition from the ?(C23)-WGe2 phase to the ?(C11b)-WGe2 phase occurs under high pressure. Furthermore, the electronic structure calculations indicate that the considered phases are metallic in nature. The results have revealed that the fine-structure peculiarities of the WL? 5- and GeK? 2-emission bands match well with the main peaks of the partial densities of the W d- and Ge p- electronic states for the both phases.
dc.identifier.doi10.1088/1402-4896/accc5d
dc.identifier.issn0031-8949
dc.identifier.issue5en_US
dc.identifier.scopusqualityQ1
dc.identifier.urihttps:/dx.doi.org10.1088/1402-4896/accc5d
dc.identifier.urihttps://hdl.handle.net/20.500.12451/11056
dc.identifier.volume98en_US
dc.identifier.wosWOS:000975366700001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherInstitute of Physics
dc.relation.ispartofPhysica Scripta
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectElectronic Structure
dc.subjectFirst-principles Calculations
dc.subjectPhase Transition
dc.subjectTungsten Digermanides
dc.subjectX-ray Emission Band
dc.titleTransformation of bonds and redistribution of partial states of valence electrons at ?(?23)-WGe 2 ??(?11b )-WGe 2 high-pressure polymorphic transformation
dc.typeArticle

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