Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/98055
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dc.titleStructural changes in HgBa2Ca2Cu3O8+δ under high pressure
dc.contributor.authorZhang, X.
dc.contributor.authorLu, W.H.
dc.contributor.authorOng, C.K.
dc.date.accessioned2014-10-16T09:42:28Z
dc.date.available2014-10-16T09:42:28Z
dc.date.issued1997-08-15
dc.identifier.citationZhang, X.,Lu, W.H.,Ong, C.K. (1997-08-15). Structural changes in HgBa2Ca2Cu3O8+δ under high pressure. Physica C: Superconductivity and its Applications 289 (1-2) : 99-108. ScholarBank@NUS Repository.
dc.identifier.issn09214534
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/98055
dc.description.abstractWe have developed a set of interatomic potentials for the simulation of structural changes in HgBa2Ca2Cu3O8+δ at δ = 0 under pressure up to 20 GPa. Our calculated compressibilities of lattice parameters agree well with experimental values. We predicted that the Cu-O3 bond is more compressible than the Hg-O3 bond. We also predicted the unusual compression of the Ba-O2 and Ba-O3 bonds under pressure, and the buckling of the Cu2-O2-Cu2 plane under pressure. Further, we found that structural changes in HgBa2Ca2Cu3O8+δ are similar to those in HgBa2CaCu2O6+δ. © 1997 Elsevier Science B.V.
dc.sourceScopus
dc.subjectHigh pressure effect
dc.subjectStructure of HgBa2Ca2Cu3O8+δ
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.sourcetitlePhysica C: Superconductivity and its Applications
dc.description.volume289
dc.description.issue1-2
dc.description.page99-108
dc.description.codenPHYCE
dc.identifier.isiutNOT_IN_WOS
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