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A first principle study of band structure of tetragonal barium titanate

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dc.Conferencecode130890
dc.Conferencedate2 November 2016 through 3 November 2016
dc.Conferencename2nd International Conference on Applied Physics and Engineering, ICAPE 2016
dc.FundingDetailsUniversiti Sains Islam Malaysia Universiti Sains Islam Malaysia
dc.FundingDetailsWe would like to thanks Research Management Center of Universiti Sains Islam Malaysia (USIM) for providing research grant (PPP Short Term Grant) and also a financially support for attending ICAPE conference.
dc.contributor.affiliationsFaculty of Science and Technology
dc.contributor.affiliationsUniversiti Sains Islam Malaysia (USIM)
dc.contributor.affiliationsUniversiti Pertahanan Nasional Malaysia (UPNM)
dc.contributor.authorRazak N.A.A.en_US
dc.contributor.authorZabidi N.A.en_US
dc.contributor.authorRosli A.N.en_US
dc.date.accessioned2024-05-28T08:43:10Z
dc.date.available2024-05-28T08:43:10Z
dc.date.issued2017
dc.description.abstractBarium titanate (BaTiO3) is a perovskite crystal structure and it is well known to have many potential applications in microelectronic industry due to its high capabilities to enhance the performance of the capacitors and other energy storage devices. BaTiO3 has been reported to have a wide band gap around 3.4 eV from previous experimental studies. In theoretical studies, the analysis of the band structure of perovskite type of materials still under investigation due to high disagreement with the experimental result. The objective of this research is to investigate the band gap of the tetragonal BaTiO3 calculated using generalized gradient approximation (GGA) and hybrid functional (HSE03) with various pseudopotential methods performed by CASTEP module. The calculation using GGA show underestimation of energy band gap. However, the band gap calculated using HSE03 approximation shows an agreement with the experimental result. � 2017 Author(s).
dc.description.natureFinalen_US
dc.editorBermakai M.Yusof A.M.Mukhtar N.M.Hussain Z.Jamalludin D.Mahmood A.Yusoff M.Z.M.Ibrahim A.Jumidali M.M.Abdullah M.H.R.O.Ali M.N.M.en_US
dc.identifier.ArtNo20017
dc.identifier.doi10.1063/1.4998371
dc.identifier.isbn9780740000000
dc.identifier.issn0094243X
dc.identifier.scopus2-s2.0-85031318291
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85031318291&doi=10.1063%2f1.4998371&partnerID=40&md5=e9a8fa4cd5e2d6e3f05d714b3998e7a0
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/9342
dc.identifier.volume1875
dc.languageEnglish
dc.language.isoen_US
dc.publisherAmerican Institute of Physics Inc.en_US
dc.relation.ispartofAIP Conference Proceedings
dc.sourceScopus
dc.titleA first principle study of band structure of tetragonal barium titanate
dc.typeConference Paperen_US
dspace.entity.typePublication

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