Ab-initio study of iridium on silicon (001) surface

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buir.advisorGülseren, Oğuz
dc.contributor.authorOğuz, İsmail Can
dc.date.accessioned2016-01-08T20:06:24Z
dc.date.available2016-01-08T20:06:24Z
dc.date.copyright2013
dc.date.issued2013
dc.descriptionAnkara : The Department of Physics and the Graduate School of Engineering and Science of Bilkent Univ., 2013.en_US
dc.descriptionThesis (Master's) -- Bilkent University, 2013.en_US
dc.descriptionIncludes bibliographical references (leaves 61-64).en_US
dc.descriptionCataloged from PDF version of article.
dc.description.abstractSelf-assembled nanowire growth on semiconductor surface is based on deposing sub-monolayer material over the surface. Even though high resolution STM image gives plausible surface analysis, determination of the nanowire structure is the most difficult part of these experiments. Due to the this reason, first-principles investigation is essential to understand the one dimensional nanowire structure grown over the surface as well as the STM images of these structures. Recently, iridium silicide nanowire on Si (001) surface is observed. In this thesis, we study formation of the nanowire after deposition of Ir on Si(001). Ab-initio plane wave pseudopotential calculations are performed for number of iridium silicide nanowires generated by increasing iridium coverage on Si(001) surface. For the iridium coverage as 0.125 ML, the possible nanowire formation is analyzed and its calculated STM images are compared with experimental STM image. As a result of our detailed analysis, we suggest that the STM image observed at experiment doesn’t consist of Ir atoms since Ir atom tends to be buried into the Si bulk. We model the possible nanowire formation which is consistent with pseudo-STM calculation. According to our model, iridium is placed at the troughs between the dimer rows on the surface and it creates a structure by breaking the Si dimer bonds. The coverage implied by the model, is consistent with experimental numbers. en_US
dc.description.provenanceMade available in DSpace on 2016-01-08T20:06:24Z (GMT). No. of bitstreams: 1 0007062.pdf: 9735765 bytes, checksum: e2ee90f8905401da67cb8f2c80fb68d8 (MD5)en
dc.description.statementofresponsibilityby İsmail Can Oğuzen_US
dc.format.extentxii, 67 leaves : illustrations, charts ; 30 cm.en_US
dc.identifier.itemidB139312
dc.identifier.urihttp://hdl.handle.net/11693/17090
dc.language.isoEnglishen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectIridium-silicide anowireen_US
dc.subjectSi(001) surfaceen_US
dc.subjectBinding energyen_US
dc.subjectCalculated STM imageen_US
dc.subjectDensity functional theoryen_US
dc.titleAb-initio study of iridium on silicon (001) surfaceen_US
dc.title.alternativeSilisyum (001) yüzeylerinde iridyum atomlarının ilk prensip hesaplardan incelenmesi
dc.typeThesisen_US
thesis.degree.disciplinePhysics
thesis.degree.grantorBilkent University
thesis.degree.levelMaster's
thesis.degree.nameMS (Master of Science)

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