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dc.contributor.authorPereira, A. L. J. [UNESP]
dc.contributor.authorGracia, L.
dc.contributor.authorSantamaria-Perez, D.
dc.contributor.authorVilaplana, R.
dc.contributor.authorManjon, F. J.
dc.contributor.authorErrandonea, D.
dc.contributor.authorNalin, M.
dc.contributor.authorBeltran, A.
dc.date.accessioned2014-05-20T15:34:08Z
dc.date.available2014-05-20T15:34:08Z
dc.date.issued2012-05-18
dc.identifierhttp://dx.doi.org/10.1103/PhysRevB.85.174108
dc.identifier.citationPhysical Review B. College Pk: Amer Physical Soc, v. 85, n. 17, p. 11, 2012.
dc.identifier.issn1098-0121
dc.identifier.urihttp://hdl.handle.net/11449/42433
dc.description.abstractWe report an experimental and theoretical study of antimony oxide (Sb2O3) in its cubic phase (senarmontite) under high pressure. X-ray diffraction and Raman scattering measurements up to 18 and 25 GPa, respectively, have been complemented with ab initio total-energy and lattice-dynamics calculations. X-ray diffraction measurements do not provide evidence of a space-group symmetry change in senarmontite up to 18 GPa. However, Raman scattering measurements evidence changes in the pressure coefficients of the Raman mode frequencies at 3.5 and 10 GPa, respectively. The behavior of the Raman modes with increasing pressure up to 25 GPa is fully reproduced by the lattice-dynamics calculations in cubic Sb2O3. Therefore, the combined analysis of both experiments and lattice-dynamics calculations suggest the occurrence of two isostructural phase transformations at 3.5 and 10 GPa, respectively. Total-energy calculations show that the isostructural phase transformations occur through local atomic displacements in which senarmontite loses its molecular character to become a three-dimensional solid. In addition, our calculations provide evidence that cubic senarmontite cannot undergo a phase transition to orthorhombic valentinite at high pressure, and that a phase transition to a beta-Bi2O3-type structure is possible above 25 GPa.en
dc.description.sponsorshipSpanish Consolider Ingenio
dc.description.sponsorshipSpanish MICCIN
dc.description.sponsorshipComunidad de Madrid
dc.description.sponsorshipEuropean Social Fund
dc.description.sponsorshipVicerrectorado de Investigacion de la Universitat Politecnica de Valencia
dc.description.sponsorshipSpanish Fundacio Bancaixa
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.format.extent11
dc.language.isoeng
dc.publisherAmer Physical Soc
dc.relation.ispartofPhysical Review B
dc.sourceWeb of Science
dc.titleStructural and vibrational study of cubic Sb2O3 under high pressureen
dc.typeArtigo
dcterms.licensehttp://publish.aps.org/authors/transfer-of-copyright-agreement
dcterms.rightsHolderAmer Physical Soc
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniv Jaume 1
dc.contributor.institutionUniv Complutense Madrid
dc.contributor.institutionUniv Politecn Valencia
dc.contributor.institutionUniv Valencia
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.description.affiliationSão Paulo State Univ UNESP, Adv Mat Grp, Bauru, Brazil
dc.description.affiliationUniv Jaume 1, MALTA Consolider Team, Dept Quim Fis & Analit, Castellon de La Plana 12071, Spain
dc.description.affiliationUniv Complutense Madrid, Fac Ciencias Quim, Dept Quim Fis 1, E-28040 Madrid, Spain
dc.description.affiliationUniv Politecn Valencia, MALTA Consolider Team, Ctr Tecnol Fis, Valencia 46022, Spain
dc.description.affiliationUniv Politecn Valencia, MALTA Consolider Team, Inst Diseno Fabricac & Prod Automatizada, Valencia 46022, Spain
dc.description.affiliationUniv Valencia, Dept Fis Aplicada ICMUV, E-46100 Valencia, Spain
dc.description.affiliationUniv Fed Sao Carlos, LAVIE, Dept Quim, BR-13560 Sao Carlos, SP, Brazil
dc.description.affiliationUnespSão Paulo State Univ UNESP, Adv Mat Grp, Bauru, Brazil
dc.identifier.doi10.1103/PhysRevB.85.174108
dc.identifier.wosWOS:000304251700002
dc.rights.accessRightsAcesso restrito
dc.description.sponsorshipIdSpanish Consolider Ingenio: CDS2007-00045
dc.description.sponsorshipIdSpanish MICCIN: CTQ2009-14596-C02-01
dc.description.sponsorshipIdSpanish MICCIN: MAT2010-21270-C04-01/04
dc.description.sponsorshipIdEuropean Social Fund: S2009/PPQ-1551 4161893
dc.description.sponsorshipIdVicerrectorado de Investigacion de la Universitat Politecnica de Valencia: UPV2011-0914 PAID-05-11
dc.description.sponsorshipIdVicerrectorado de Investigacion de la Universitat Politecnica de Valencia: UPV2011-0966 PAID-06-11
dc.description.sponsorshipIdSpanish Fundacio Bancaixa: P1-1A2009-08
dc.description.sponsorshipIdCAPES: BEX 3939/10-3
dc.identifier.fileWOS000304251700002.pdf
unesp.author.orcid0000-0003-0504-2157[4]
unesp.author.orcid0000-0003-0189-4221[6]
unesp.author.orcid0000-0002-7971-6794[7]
unesp.author.orcid0000-0003-4757-8080[1]
unesp.author.orcid0000-0001-9665-5527[8]
unesp.author.orcid0000-0001-9684-2568[2]
unesp.author.orcid0000-0002-1119-5056[3]
unesp.author.orcid0000-0002-3926-1705[5]
dc.relation.ispartofsjr1,604
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