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dc.contributor.authorPiñeiro Guillén, Ángel
dc.contributor.authorSánchez Botana, Antía
dc.contributor.authorPardo Castro, Víctor
dc.contributor.authorPereiro López, Manuel
dc.contributor.authorBaldomir Fernández, Daniel
dc.contributor.authorArias Rodríguez, Juan Enrique
dc.date.accessioned2018-11-21T14:05:55Z
dc.date.available2018-11-21T14:05:55Z
dc.date.issued2010
dc.identifier.citationPiñeiro, A., Botana, A., Pardo, V., Botana, J., Pereiro, M., Baldomir, D., & Arias, J. (2011). Effects of applied pressure in ZnV2 O4 and evidences for a dimerized structure. Journal Of Applied Physics, 109(7), 07E158. doi: 10.1063/1.3565410
dc.identifier.issn0021-8979
dc.identifier.urihttp://hdl.handle.net/10347/17791
dc.description.abstractThe series of V spinels [A2+] V2 O4 (A = Cd, Mn, Zn, Mg) provides an opportunity to tune the V-V distance continuously, in the frustrated pyrochlore lattice of the spinel. This system has been shown to approach the metallic state when V-V distance is reduced. The proximity to the transition leads to a dimerized structure in ZnV2 O4 caused by lattice instabilities. A different manner to tune the V − V distance of this structure is to fix the A2+ cation (in our case, Zn) and apply pressure. We have analyzed the evolution of the electronic structure of the system in the dimerized state. Such structure prevents the system to present a metallic phase at moderate pressures. We have also calculated the transport properties in a semiclassical approach based on Boltzmann transport theory. Our results support the validity of this structural distortion by providing a nice fit with experimental measurements
dc.description.sponsorshipThe authors thank the CESGA (Centro de Supercomputacion de Galicia) for the computing facilities and the Ministerio de Educación y Ciencia (MEC) for the financial support through the project MAT2009-08165. A.S.B. thanks MEC for an FPU grant. J.B. and M.P. acknowledge Deputación da Coruña and the Isabel Barreto program respectively for financial support. We are also thankful to the Xunta de Galicia for financial support through the project INCITE08PXIB236052PR
dc.language.isoeng
dc.publisherAIP Publishing
dc.rights© 2011 American Institute of Physics
dc.subjectNonequilibrium statistical mechanics
dc.subjectOxides
dc.subjectBand gap
dc.subjectResistivity measurements
dc.subjectPyrochlore
dc.subjectDimerization
dc.subjectThermoelectric effects
dc.subjectTransport properties
dc.subjectBond length
dc.subjectPhase transitions
dc.titleEffects of applied pressure in ZnV2 O4 and evidences for a dimerized structure
dc.typejournal article
dc.identifier.doi10.1063/1.3565410
dc.relation.publisherversionhttps://doi.org/10.1063/1.3565410
dc.type.hasVersionVoR
dc.identifier.essn1089-7550
dc.rights.accessRightsopen access
dc.contributor.affiliationUniversidade de Santiago de Compostela. Centro de Investigación en Tecnoloxías da Información
dc.contributor.affiliationUniversidade de Santiago de Compostela. Departamento de Física Aplicada
dc.description.peerreviewedSI
dc.relation.projectIDinfo:eu-repo/grantAgreement/MICINN/Plan Nacional de I+D+i 2008-2011/MAT2009-08165/ES/Estudio De La Separacion De Fases Cuanticas Para Transiciones Metal-Aislante Combinando Tecnicas Ab Initio, Analiticas Y Experimento


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