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First Principles Calculation of epsilon-Phase of Solid Oxygen

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dc.ConferencedateAPR 16-19, 2015
dc.ConferencelocationOludeniz, TURKEY
dc.Conferencename5th International Advances in Applied Physics and Materials Science Congress and Exhibition (APMAS)
dc.contributor.authorKamaruddin, KHen_US
dc.contributor.authorAbedin, AFZen_US
dc.contributor.authorZabidi, NAen_US
dc.contributor.authorYahya, MZAen_US
dc.contributor.authorTaib, MFMen_US
dc.contributor.authorRosli, ANen_US
dc.date.accessioned2024-05-29T03:25:45Z
dc.date.available2024-05-29T03:25:45Z
dc.date.issued2016
dc.description.abstractThe electronic structures of 5-phase of solid oxygen (O-2)(4) are studied within the framework of density functional theory. The intriguing molecule has been known to have magnetic properties at room temperature by applying pressure. Nevertheless, until now there was no evidence of band structure studied in the anti-ferromagnetic behaviour of (O-2)(4). We report a comparison study for spin and non-spin polarization orbital which suggests that this ferromagnetic configuration of (O-2)(4) could not be seen experimentally, and antiferromagnetic configuration of (O-2)(4) was seen at higher pressure of about 10 GPa. The antiferromagnetic state transforms into the superconducting state as the sample temperature decreases. The results can serve as a useful approximation in studying general features of the electronic structure. The (O-2)(4) clusters are reported in the Raman study, having significant absorption at 1516 cm(-1) below infrared region.
dc.identifier.doi10.12693/APhysPolA.129.468
dc.identifier.epage471
dc.identifier.isbn1898-794X
dc.identifier.issn0587-4246
dc.identifier.issue4
dc.identifier.scopusWOS:000376595000012
dc.identifier.spage468
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/12020
dc.identifier.volume129
dc.languageEnglish
dc.language.isoen_USen_US
dc.publisherPolish Acad Sciences Inst Physicsen_US
dc.relation.ispartofActa Physica Polonica A
dc.sourceWeb Of Science (ISI)
dc.titleFirst Principles Calculation of epsilon-Phase of Solid Oxygenen_US
dc.title.alternativeActa Phys. Pol. Aen_US
dc.typeArticleen_US
dspace.entity.typePublication

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