Optical and magnetic properties of some XMnSb and Co(2)YZ Compounds: ab initio calculations

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dc.authoridOZISIK, HACI -- 0000-0002-4011-1720;
dc.contributor.authorPalaz, Selami
dc.contributor.authorKoç, Hüsnü
dc.contributor.authorÖzışık, Hacı
dc.contributor.authorDeligöz, Engin
dc.contributor.authorMamedov, Amirullah M.
dc.contributor.authorÖzbay, Ekmel
dc.contributor.editorMaiberg, M
dc.contributor.editorFranzel, W
dc.contributor.editorScheer, R
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T09:15:29Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T09:15:29Z
dc.date.issued2017
dc.departmentFen-Edebiyat Fakültesi
dc.description20th International Conference on Ternary and Multinary Compounds (ICTMC) -- SEP 05-09, 2016 -- Halle, GERMANY
dc.descriptionWOS:000405267800024
dc.description.abstractIn present work, our research is mainly focused on the electronic structures, optical, and magnetic properties of XMnSb (X = Ni, Cu, Pd), Co(2)YZ (Y = Ti; Z = Si, Ge, Sn), and Co(2)YZ (Y = Mn; Z = Al, Ga, Si) Heusler compounds by using ab initio calculations within the generalized gradient approximation. The calculations are performed by using the Vienna ab initio simulation package based on the density functional theory. The band structure of these Heusler alloys for majority spin and minority spin were calculated and the majority spin states cross the Fermi level and thus have the metallic character, while the minority spin states open the band gaps around the Fermi level and thus have the narrow-band semiconducting nature. We also find that these Heuslercompounds have the indirect band gaps in the minority spin channel. The real and imaginary parts of dielectric functions and hence the optical functions such as energy-loss function, the effective number of valance electrons and the effective optical dielectric constant for XMnSb and Co2YZ compounds were also calculated. In addition, we also show the variations of the total magnetic moment per f.u. and minority spin gap width of these compounds with optimized lattice constants: minority spin gap width decreases with increasing the lattice constants.
dc.identifier.doi10.1002/pssc.201600182
dc.identifier.issn1862-6351
dc.identifier.issue6en_US
dc.identifier.scopusqualityN/A
dc.identifier.urihttps://doi.org/10.1002/pssc.201600182
dc.identifier.urihttps://hdl.handle.net/20.500.12451/4395
dc.identifier.volume14en_US
dc.identifier.wosWOS:000405267800024
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWILEY-V C H VERLAG GMBH
dc.relation.ispartofPHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 14 NO 6
dc.relation.ispartofseriesPhysica Status Solidi C-Current Topics in Solid State Physics
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAb Initio
dc.subjectElectronic Structure
dc.subjectHeussler
dc.subjectOptical Properties
dc.titleOptical and magnetic properties of some XMnSb and Co(2)YZ Compounds: ab initio calculations
dc.typeConference Object

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