Electronic structure of β-Si3N4 crystals with substitutional icosagen group impurities

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buir.contributor.authorÖzbay, Ekmel
buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828
dc.citation.epage282en_US
dc.citation.issueNumber3-4en_US
dc.citation.spage278en_US
dc.citation.volumeNumber19en_US
dc.contributor.authorKutlu, E.en_US
dc.contributor.authorNarin, P.en_US
dc.contributor.authorAtmaca, G.en_US
dc.contributor.authorSarıkavak-Lişesivdin, B.en_US
dc.contributor.authorLişesivdin, S. B.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.date.accessioned2018-04-12T10:39:41Z
dc.date.available2018-04-12T10:39:41Z
dc.date.issued2017en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.departmentDepartment of Physicsen_US
dc.departmentDepartment of Electrical and Electronics Engineeringen_US
dc.description.abstractThe β-Si3N4 crystals are widely used in industrial and electronics areas. Therefore, β-Si3N4 has drawn the attention of researchers for many years. In this study, effects of icosagen group impurity atoms in the IIIA group on the electronic properties of the β-Si3N4 crystal were analyzed by using the density functional theory. As a result of these analyses, it was determined that the electronic properties of the crystal change significantly. Basic electronic characteristics for pure β-Si3N4 crystal and icosagen group impurity β-Si3N4 crystals, such as band structures, densities of states, binding energies, and formation energies were investigated. We identified that the band gap of the β-Si3N4 crystal was affected significantly by the impurity, and this change was varying linearly in line with the formation energy for the impurity cases. As a result of calculations, the Al-impurity was found to be the lowest-energy impurity state.en_US
dc.description.provenanceMade available in DSpace on 2018-04-12T10:39:41Z (GMT). No. of bitstreams: 1 bilkent-research-paper.pdf: 179475 bytes, checksum: ea0bedeb05ac9ccfb983c327e155f0c2 (MD5) Previous issue date: 2017en
dc.identifier.issn1454-4164
dc.identifier.urihttp://hdl.handle.net/11693/36430
dc.language.isoEnglishen_US
dc.publisherNational Institute of Optoelectronicsen_US
dc.source.titleJournal of Optoelectronics and Advanced Materialsen_US
dc.subjectDFTen_US
dc.subjectElectronic structureen_US
dc.subjectFormation energyen_US
dc.subjectImpurityen_US
dc.subjectβ-Si3N4en_US
dc.titleElectronic structure of β-Si3N4 crystals with substitutional icosagen group impuritiesen_US
dc.typeArticleen_US

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