Dynamic nonlinear optical processes in some oxygen-octahedra ferroelectrics: first principle calculations

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dc.contributor.authorSimsek, Şevket, Hüsnü, Selami, Oral, Amirullah M. and Ekmel Koc, Palaz, Oltulu, Mamedov, Ozbay
dc.date.accessioned2017-05-02T19:48:10Z
dc.date.available2017-05-02T19:48:10Z
dc.date.issued2015-10-29
dc.departmentBelirleneceken_US
dc.description.abstractThe nonlinear optical properties and electro-optic effects of some oxygen-octahedra ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle calculations without the scissor approximation. We present calculations of the frequency- dependent complex dielectric function ? ? v and the second harmonic generation response coefficient x? ?2 ? ? ¡ 2v; v; v over a large frequency range in tetragonal and rhombohedral phases. The electronic linear electro-optic susceptibility x? ?2 ? ? ¡ v; v; 0 is also evaluated below the band gap. These results are based on a series of the LDA calculation using DFT. The results for x? ?2 ? ? ¡ v; v; 0 are in agreement with the experiment below the band gap and those for x? ?2 ? ? ¡ 2v; v; v are compared with the experimental data where available.en_US
dc.description.provenanceSubmitted by Hüsnü KOÇ (hkoc@siirt.edu.tr) on 2017-05-02T19:48:10Z No. of bitstreams: 1 Dynamic Nonlinear Optical Processes in Some Oxygen Octahedra Ferroelectrics First Principle Calculations.pdf: 707165 bytes, checksum: a697e04808674899e261f2b53fc6e7e3 (MD5)en
dc.description.provenanceMade available in DSpace on 2017-05-02T19:48:10Z (GMT). No. of bitstreams: 1 Dynamic Nonlinear Optical Processes in Some Oxygen Octahedra Ferroelectrics First Principle Calculations.pdf: 707165 bytes, checksum: a697e04808674899e261f2b53fc6e7e3 (MD5) Previous issue date: 2015-10-29en
dc.identifier.issn0015-0193
dc.identifier.scopus2-s2.0-84946021942
dc.identifier.scopusqualityQ4
dc.identifier.urihttps://hdl.handle.net/20.500.12604/434
dc.identifier.wosWOS:000363683200004
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.relation.ispartofseriesDOI;10.1080/00150193.2015.1058668
dc.relation.publicationcategoryUluslararası Hakemli Dergi Makalesien_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.snmzKG_20241224
dc.subjectABO3; ferroelectrics; nonlinear optic processesen_US
dc.titleDynamic nonlinear optical processes in some oxygen-octahedra ferroelectrics: first principle calculationsen_US
dc.title.alternativeFerroelectrics, 483 (2015) 1-17.en_US
dc.typeArticleen_US

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