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Please use this identifier to cite or link to this item: https://doi.org/10.1016/S0921-5107(02)00548-2
DC FieldValue
dc.titleInteresting electronic and structural properties of C3P4
dc.contributor.authorLim, A.T.-L.
dc.contributor.authorZheng, J.-C.
dc.contributor.authorFeng, Y.P.
dc.date.accessioned2014-10-16T09:51:06Z
dc.date.available2014-10-16T09:51:06Z
dc.date.issued2003-05-25
dc.identifier.citationLim, A.T.-L., Zheng, J.-C., Feng, Y.P. (2003-05-25). Interesting electronic and structural properties of C3P4. Materials Science and Engineering B: Solid-State Materials for Advanced Technology 99 (1-3) : 527-530. ScholarBank@NUS Repository. https://doi.org/10.1016/S0921-5107(02)00548-2
dc.identifier.issn09215107
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/98761
dc.description.abstractWe performed first-principles calculation on several possible polymorphs of C3P4 to investigate the structural and electronic properties of hypothetical carbon phosphide solids. Our calculations predict that C3P4 is metallic within LDA. Unlike C3N4, the calculations also predict that pseudocubic-C3P4 is the most energetically favored structure at zero pressure. Being also the densest structure at zero pressure, it is perhaps only possible to synthesize pseudocubic-C3P4. © 2002 Elsevier Science B.V. All rights reserved.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/S0921-5107(02)00548-2
dc.sourceScopus
dc.subjectCarbon phosphide
dc.subjectElectronic structure
dc.subjectFirst-principles calculation
dc.subjectSolids
dc.subjectStability
dc.typeConference Paper
dc.contributor.departmentPHYSICS
dc.description.doi10.1016/S0921-5107(02)00548-2
dc.description.sourcetitleMaterials Science and Engineering B: Solid-State Materials for Advanced Technology
dc.description.volume99
dc.description.issue1-3
dc.description.page527-530
dc.description.codenMSBTE
dc.identifier.isiut000184120300127
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