Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/2489
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dc.contributorDepartment of Electrical Engineering-
dc.contributorDepartment of Applied Physics-
dc.creatorZeng, M-
dc.creatorOr, DSW-
dc.creatorChan, HLW-
dc.date.accessioned2014-12-11T08:26:59Z-
dc.date.available2014-12-11T08:26:59Z-
dc.identifier.issn0021-8979-
dc.identifier.urihttp://hdl.handle.net/10397/2489-
dc.language.isoenen_US
dc.publisherAmerican Institute of Physicsen_US
dc.rights© 2010 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in M. Zeng, S.W. Or & H.L.W. Chan. J. Appl. Phys. 107, 043513 (2010) and may be found at http://link.aip.org/link/?jap/107/043513en_US
dc.subjectAb initio calculationsen_US
dc.subjectBismuth compoundsen_US
dc.subjectOptical constantsen_US
dc.subjectOptical propertiesen_US
dc.subjectPiezoelectric materialsen_US
dc.subjectSodium compoundsen_US
dc.subjectValence bandsen_US
dc.titleFirst-principles study on the electronic and optical properties of Na₀.₅Bi₀.₅TiO₃lead-free piezoelectric crystalen_US
dc.typeJournal/Magazine Articleen_US
dc.description.otherinformationAuthor name used in this publication: Siu Wing Oren_US
dc.description.otherinformationAuthor name used in this publication: Helen Lai Wa Chanen_US
dc.identifier.spage1-
dc.identifier.epage5-
dc.identifier.volume107-
dc.identifier.issue4-
dc.identifier.doi10.1063/1.3309407-
dcterms.abstractFirst-principles calculation is used to study the structural, electronic, and optical properties of Na₀.₅Bi₀.₅TiO₃(NBT) lead-free piezoelectric crystal. The band structure calculation reveals that NBT has a direct band gap of 2.1 eV. The calculated imaginary part of dielectric function indicates interband transition mainly from O 2p valence bands to Ti 3d and Bi 6p conduction bands in the low-energy region. The calculated absorption spectrum is in agreement with the available experimental data. Based on the fit of the result of optical abruption spectrum, the optical band gap is estimated to be 3.03 eV. Other optical constants, such as refractive index, extinction coefficient, energy-loss spectrum, and reflectivity are discussed in details. Those found show that NBT has the potential applications in optoelectrics.-
dcterms.accessRightsopen accessen_US
dcterms.bibliographicCitationJournal of applied physics, 15 Feb. 2010, v. 107, no. 4, 043513, p. 1-5-
dcterms.isPartOfJournal of applied physics-
dcterms.issued2010-02-15-
dc.identifier.isiWOS:000275028900029-
dc.identifier.scopus2-s2.0-77749301778-
dc.identifier.eissn1089-7550-
dc.identifier.rosgroupidr48341-
dc.description.ros2009-2010 > Academic research: refereed > Publication in refereed journal-
dc.description.oaVersion of Recorden_US
dc.identifier.FolderNumberOA_IR/PIRAen_US
dc.description.pubStatusPublisheden_US
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