Optical and magnetic properties of some XMnSb and Co2YZ compounds: ab initio calculations

Simple item page
buir.contributor.authorÖzbay, Ekmel
buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828
dc.citation.epage4en_US
dc.citation.issueNumber6en_US
dc.citation.spage1en_US
dc.citation.volumeNumber14en_US
dc.contributor.authorPalaz S.en_US
dc.contributor.authorKoc, H.en_US
dc.contributor.authorOzisik, H.en_US
dc.contributor.authorDeligoz, E.en_US
dc.contributor.authorMamedov, A. M.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.date.accessioned2018-04-12T10:38:31Z
dc.date.available2018-04-12T10:38:31Z
dc.date.issued2017en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.description.abstractIn present work, our research is mainly focused on the electronic structures, optical, and magnetic properties of XMnSb (X = Ni, Cu, Pd), Co2YZ (Y = Ti; Z=Si, Ge, Sn), and Co2YZ (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 Heusler compounds 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. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheimen_US
dc.embargo.release2018-06-07en_US
dc.identifier.doi10.1002/pssc.201600182en_US
dc.identifier.issn1862-6351
dc.identifier.urihttp://hdl.handle.net/11693/36396
dc.language.isoEnglishen_US
dc.publisherWiley-VCH Verlagen_US
dc.relation.isversionofhttp://dx.doi.org/10.1002/pssc.201600182en_US
dc.source.titlePhysica Status Solidi (C) Current Topics in Solid State Physicsen_US
dc.subjectAb initioen_US
dc.subjectElectronic structureen_US
dc.subjectHeussleren_US
dc.subjectOptical propertiesen_US
dc.titleOptical and magnetic properties of some XMnSb and Co2YZ compounds: ab initio calculationsen_US
dc.typeArticleen_US

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Optical and magnetic properties of some XMnSb and Co2YZ Compounds ab initio calculations.pdf
Size:
942.34 KB
Format:
Adobe Portable Document Format
Description:
Full printable version
Download

Collections

Nanotechnology Research Center (NANOTAM)