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dc.contributor.authorGomis, O.
dc.contributor.authorLavina, B.
dc.contributor.authorRodríguez-Hernández, P.
dc.contributor.authorMuñoz, A.
dc.contributor.authorErrandonea, R.
dc.contributor.authorErrandonea, D.
dc.contributor.authorBettinelli, M.
dc.date.accessioned2017-04-20T08:44:10Z
dc.date.available2017-04-20T08:44:10Z
dc.date.issued2017
dc.identifier.issn0953-8984
dc.identifier.urihttp://riull.ull.es/xmlui/handle/915/4493
dc.description.abstractZircon-type HoPO4 and TmPO4 have been studied by single-crystal x-ray diffraction and ab initio calculations. We report information on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicate that the possible causes that make unstable the zircon structure are mechanical instabilities and the softening of a silent B1u mode.es_ES
dc.format.mimetypeapplication/pdf
dc.language.isoenes_ES
dc.publisherIOP Publishinges_ES
dc.relation.ispartofseriesJournal of Physics: Condensed Matter;29 (2017)
dc.rightsLicencia Creative Commons (Reconocimiento-No comercial-Sin obras derivadas 4.0 internacional)es_ES
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es_ESes_ES
dc.subjectZirconioes_ES
dc.subjectOrtofosfatoses_ES
dc.subjectPropiedades elásticases_ES
dc.subjectEcuación de estadoes_ES
dc.subjectCálculos ab initioes_ES
dc.subjectDifracción de rayos Xes_ES
dc.subjectAlta presiónes_ES
dc.titleHigh-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO4 and TmPO4es_ES
dc.typeinfo:eu-repo/semantics/article


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Licencia Creative Commons (Reconocimiento-No comercial-Sin obras derivadas 4.0 internacional)
Except where otherwise noted, this item's license is described as Licencia Creative Commons (Reconocimiento-No comercial-Sin obras derivadas 4.0 internacional)