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Ab Initio Calculation of Vibrational Frequencies of ZnSe and the Raman Spectra

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dc.ConferencecodeUniv Malaya, Acad Sci Malaysia, Abdul Salam Int Ctr Theoret Phys, Asia Pacific Ctr Theoret Phys, Malaysian Profess Sci Assoc Grp, Malaysian Inst Phys
dc.ConferencedateAUG 27-30, 2013
dc.ConferencelocationKuala Lumpur, MALAYSIA
dc.Conferencename4th International Meeting on Frontiers of Physics (IMFP)
dc.contributor.authorRosli, ANen_US
dc.contributor.authorZabidi, NAen_US
dc.contributor.authorAbu Kassim, Hen_US
dc.date.accessioned2024-05-29T02:51:52Z
dc.date.available2024-05-29T02:51:52Z
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 mu 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.
dc.identifier.doi10.1063/1.4866958
dc.identifier.epage270
dc.identifier.issn0094-243X
dc.identifier.scopusWOS:000338131900041
dc.identifier.spage265
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/11250
dc.identifier.volume1588
dc.languageEnglish
dc.language.isoen_US
dc.publisherAmer Inst Physicsen_US
dc.relation.ispartofFrontiers In Physics
dc.sourceWeb Of Science (ISI)
dc.subjectvibrational frequenciesen_US
dc.subjectDFTen_US
dc.subjectZnSeen_US
dc.titleAb Initio Calculation of Vibrational Frequencies of ZnSe and the Raman Spectra
dc.typeProceedings Paperen_US
dspace.entity.typePublication

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