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Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4

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Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4

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dc.contributor.author Errandonea, Daniel es_ES
dc.contributor.author Popescu, Catalin es_ES
dc.contributor.author Garg, A.B. es_ES
dc.contributor.author Botella, P. es_ES
dc.contributor.author Martinez García, D. es_ES
dc.contributor.author Pellicer Porres, J. es_ES
dc.contributor.author Rodríguez Hernández, P. es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Cuenca Gotor, Vanesa Paula es_ES
dc.contributor.author Sans Tresserras, Juan Ángel
dc.date.accessioned 2016-06-10T09:54:22Z
dc.date.available 2016-06-10T09:54:22Z
dc.date.issued 2016-01
dc.identifier.issn 2469-9950
dc.identifier.uri http://hdl.handle.net/10251/65639
dc.description.abstract A pressure-induced phase transition, associated with an increase of the coordination number of In and Ta, is detected beyond 13 GPa in InTaO4 by combining synchrotron x-ray diffraction and Raman measurements in a diamond-anvil cell with ab initio calculations. High-pressure optical-absorption measurements were also carried out. The high-pressure phase has a monoclinic structure that shares the same space group with the low-pressure phase (P2/c). The structure of the high-pressure phase can be considered as a slight distortion of an orthorhombic structure described by space group Pcna. The phase transition occurs together with a unit-cell volume collapse and an electronic band-gap collapse observed by experiments and calculations. Additionally, a band crossing is found to occur in the low-pressure phase near 7 GPa. The pressure dependence of all the Raman-active modes is reported for both phases as well as the pressure dependence of unit-cell parameters and the equations of state. Calculations also provide information on infrared-active phonons and bond distances. These findings provide insights into the effects of pressure on the physical properties of InTaO4. es_ES
dc.description.sponsorship This paper was partially supported by the Spanish Ministerio de Economia y Competitividad (MINECO) under Grants No. MAT2013-46649-C04-01/02/03 and No. MAT2015-71070-REDC (MALTA Consolider). The XRD experiments were performed at the MSPD-BL04 beamline at ALBA Synchrotron with the collaboration of ALBA staff. We thank S. Agouram from SC-SIE at Universitat de Valencia for technical support with the transmission electron microscope measurements. en_EN
dc.language Inglés es_ES
dc.publisher American Physical Society es_ES
dc.relation.ispartof Physical review B: Condensed matter and materials physics es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Phase transition es_ES
dc.subject High Pressure es_ES
dc.subject Semiconductor es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4 es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.93.035204
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2013-46649-C4-3-P/ES/ESTUDIO AB INITIO DE OXIDO METALICOS, MATERIALES Y NANOMATERIALES BAJO CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2013-46649-C4-2-P/ES/OXIDOS METALICOS ABO3 EN CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2015-71070-REDC/ES/MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAM/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2013-46649-C4-1-P/ES/ORTOVANADATOS BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICAS/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada es_ES
dc.description.bibliographicCitation Errandonea, D.; Popescu, C.; Garg, A.; Botella, P.; Martinez García, D.; Pellicer Porres, J.; Rodríguez Hernández, P.... (2016). Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4. Physical review B: Condensed matter and materials physics. 93(3):035204-1-035204-12. https://doi.org/10.1103/PhysRevB.93.035204 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1103/PhysRevB.93.035204 es_ES
dc.description.upvformatpinicio 035204-1 es_ES
dc.description.upvformatpfin 035204-12 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 93 es_ES
dc.description.issue 3 es_ES
dc.relation.senia 310098 es_ES
dc.identifier.eissn 1550-235X
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
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