Publication:
The raman spectra of nanocomposite clusters of atoms in phosphorous-selenium glassy state

Simple item page
dc.Conferencecode96379
dc.Conferencedate2 March 2011 through 3 March 2011
dc.ConferencelocationShah Alam, Selangor
dc.ConferencenameInternational Conference on Nanoscience and Nanotechnology 2011, NANO-SciTech 2011
dc.contributor.affiliationsUniversiti Sains Islam Malaysia (USIM)
dc.contributor.affiliationsUniversity of Malaya (UM)
dc.contributor.affiliationsJawaharlal Nehru Technological University
dc.contributor.authorRosli A.N.en_US
dc.contributor.authorKassim H.A.en_US
dc.contributor.authorShrivastava K.N.en_US
dc.contributor.authorRadhika Devi V.en_US
dc.date.accessioned2024-05-29T01:59:32Z
dc.date.available2024-05-29T01:59:32Z
dc.date.issued2013
dc.description.abstractWe make clusters of atoms of the size of less than 1 nanometer by using the density functional theory and from that we obtain the bond lengths corresponding to the minimum energy configuration. We are able to optimize large clusters of atoms and find the vibrational frequencies for each cluster. This calculation provides us with a method to identify the clusters present in an unknown sample of a glass by comparing the experimental Raman frequency with the calculated value. We start with the experimental values of the Raman frequencies of PSe (Phosphorous- Selenium) glass. We calculate the structural parameters of PSe, P4Se, P2Se2, P4Se5, PSe4, P4Se3 clusters of atoms and tabulate the vibrational frequencies. We compare the calculated values with those measured. In this way we find the clusters of atoms present in the glass. Sometimes, the same number of atoms can be rearranged in a different symmetry. Hence we learn the symmetries of molecules. We find that certain symmetries are broken due to self-organization in the glassy state. � (2013) Trans Tech Publications, Switzerland.
dc.description.natureFinalen_US
dc.identifier.doi10.4028/www.scientific.net/AMR.667.99
dc.identifier.epage103
dc.identifier.isbn9783040000000
dc.identifier.issn10226680
dc.identifier.scopus2-s2.0-84875704361
dc.identifier.spage99
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84875704361&doi=10.4028%2fwww.scientific.net%2fAMR.667.99&partnerID=40&md5=3de03c6abb3ebc41d7a4d65cf80fab11
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/10067
dc.identifier.volume667
dc.languageEnglish
dc.language.isoen_US
dc.relation.ispartofAdvanced Materials Research
dc.sourceScopus
dc.subjectClusteren_US
dc.subjectDensity-functional theoryen_US
dc.subjectGlassen_US
dc.subjectRaman spectraen_US
dc.subjectVibrational frequencyen_US
dc.subjectCalculated valuesen_US
dc.subjectClusteren_US
dc.subjectExperimental valuesen_US
dc.subjectLarge clustersen_US
dc.subjectMinimum energy configurationen_US
dc.subjectRaman frequenciesen_US
dc.subjectSelf organizationsen_US
dc.subjectStructural parameteren_US
dc.subjectAtomsen_US
dc.subjectDensity functional theoryen_US
dc.subjectNanoscienceen_US
dc.subjectPhosphorusen_US
dc.subjectRaman scatteringen_US
dc.subjectRaman spectroscopyen_US
dc.subjectSeleniumen_US
dc.titleThe raman spectra of nanocomposite clusters of atoms in phosphorous-selenium glassy state
dc.typeArticleen_US
dspace.entity.typePublication

Files

Collections

Scopus