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Ab initio calculation of vibrational frequencies of ZnSe and the Raman spectra

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dc.Conferencecode106016
dc.Conferencedate27 August 2013 through 30 August 2013
dc.ConferencelocationKuala Lumpur
dc.Conferencename4th International Meeting on Frontiers in Physics, IMFP 2013
dc.citedby1
dc.contributor.affiliationsFaculty of Science and Technology
dc.contributor.affiliationsUniversiti Sains Islam Malaysia (USIM)
dc.contributor.affiliationsUniversiti Pertahanan Nasional Malaysia (UPNM)
dc.contributor.affiliationsUniversity of Malaya (UM)
dc.contributor.authorRosli A.N.en_US
dc.contributor.authorZabidi N.A.en_US
dc.contributor.authorKassim H.A.en_US
dc.date.accessioned2024-05-28T08:38:27Z
dc.date.available2024-05-28T08:38:27Z
dc.date.issued2014
dc.description.abstractThe single layer of ZnSe has been studied to understand the structure using density functional theory. The vibrational frequencies of several cluster of ZnSe have been calculated when the Kohn-Sham equation solved at the ground state energy. We have done the calculation for 34 models of ZnSe clusters but only the stable molecules will be discussed. The bond length, Fermi energy and binding energy of ZnSe clusters have been calculated. The experimental result of single layer of ZnSe shown by Nesheva et. al. using different thickness of layers until 1?m [1]. The Raman spectra of ZnSe shown several peak for different thickness. In this paper, we will show the comparison of our calculated result with the experimental Raman spectra to show the existent of cluster. � 2014 AIP Publishing LLC.
dc.description.natureFinalen_US
dc.description.sponsorshipAbdul Salam Int. Centre for Theoretical Physics
dc.description.sponsorshipAcademy of Sciences Malaysia
dc.description.sponsorshipAsia Pacific Centre for Theoretical Physics
dc.description.sponsorshipAssociations Group (K. I. S. M)
dc.description.sponsorshipMalaysian Professional Scientific
dc.description.sponsorshipUniversity of Malaya
dc.identifier.doi10.1063/1.4866958
dc.identifier.epage270
dc.identifier.isbn9780740000000
dc.identifier.issn0094243X
dc.identifier.scopus2-s2.0-84903642615
dc.identifier.spage265
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84903642615&doi=10.1063%2f1.4866958&partnerID=40&md5=17d46cf4bcb3578a0d3cd35437951410
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/9214
dc.identifier.volume1588
dc.languageEnglish
dc.language.isoen_US
dc.publisherAmerican Institute of Physics Inc.en_US
dc.relation.ispartofAIP Conference Proceedings
dc.sourceScopus
dc.subjectDFTen_US
dc.subjectvibrational frequenciesen_US
dc.subjectZnSeen_US
dc.subjectBinding energyen_US
dc.subjectVibrational spectraen_US
dc.subjectAb initio calculationsen_US
dc.subjectDFTen_US
dc.subjectDifferent thicknessen_US
dc.subjectGround-state energiesen_US
dc.subjectKohn Sham equationsen_US
dc.subjectSingle layeren_US
dc.subjectZnSeen_US
dc.subjectRaman scatteringen_US
dc.titleAb initio calculation of vibrational frequencies of ZnSe and the Raman spectra
dc.typeConference Paperen_US
dspace.entity.typePublication

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