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The Band Structure of a Rare Earth Element of Promethium (III) Oxide (Pm2O3) Calculated Using Density Functional Theory

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dc.Conferencecode140021
dc.Conferencedate10 July 2017 through 12 July 2017
dc.ConferencenameInternational Conference on Computation in Science and Engineering, ICCSE 2017
dc.contributor.affiliationsFaculty of Science and Technology
dc.contributor.affiliationsUniversiti Sains Islam Malaysia (USIM)
dc.contributor.authorMohd Rafi N.A.en_US
dc.contributor.authorRosli A.N.en_US
dc.date.accessioned2024-05-28T08:24:37Z
dc.date.available2024-05-28T08:24:37Z
dc.date.issued2018
dc.description.abstractLuminescence is emission of light by a substance not resulting from heat. It is form of cold body radiation. It can be caused by chemical reactions of the substance with other substances around it, electrical energy, subatomic motions or stress on a crystal. There are many types of luminescence. One of it is phosphorescent. Phosphorescent is made from phosphors such as doped strontium aluminate. Phosphorescent emission light persists long after it has been exposed to light and will fading over time. Promethium (Pm) is low energy beta emitter. It does not degrade the phosphor lattice and the luminosity of the material does not degrade so fast. Promethium based paints are safer than Radium (Ra) and have half-life about more than two years. Promethium usually found in form oxidation called promethium (III) oxide (Pm2O3) and usually applied on watch and phones dial. The study of a band structure of Pm2O3 has not been covered yet. By using density functional theory, we calculated the band gap of promethium (III) oxide from it crystalline structure. The calculated band structure show a clear band gap between valence and conduction band at Fermi level. However the value shows very small gap at 0.286 eV. The density of state and partial density of states has been produced. The calculation has been done using different type of approximation from general gradient approximation (GGA).en_US
dc.description.natureFinalen_US
dc.identifier.ArtNo12005
dc.identifier.doi10.1088/1742-6596/1090/1/012005
dc.identifier.issn17426588
dc.identifier.issue1
dc.identifier.scopus2-s2.0-85054484245
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85054484245&doi=10.1088%2f1742-6596%2f1090%2f1%2f012005&partnerID=40&md5=93efc7543910f8dd7fda20e62d2cee4b
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/8529
dc.identifier.volume1090
dc.languageEnglish
dc.language.isoen_USen_US
dc.publisherInstitute of Physics Publishingen_US
dc.relation.ispartofOpen Accessen_US
dc.relation.ispartofJournal of Physics: Conference Series
dc.sourceScopus
dc.subjectComputation theoryen_US
dc.subjectEnergy gapen_US
dc.subjectPhosphorescenceen_US
dc.subjectPhosphorsen_US
dc.subjectGeneral gradient approximationen_US
dc.subjectPhosphorescent emissionen_US
dc.subjectDensity functional theoryen_US
dc.titleThe Band Structure of a Rare Earth Element of Promethium (III) Oxide (Pm2O3) Calculated Using Density Functional Theoryen_US
dc.title.alternativeJ. Phys. Conf. Ser.en_US
dc.typeConference Paperen_US
dspace.entity.typePublication

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