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Lattice dynamics of Sb2Te3 at high pressures

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Lattice dynamics of Sb2Te3 at high pressures

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dc.contributor.author Gomis Hilario, Oscar es_ES
dc.contributor.author Vilaplana Cerda, Rosario Isabel es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author Rodríguez-Hernández, P. es_ES
dc.contributor.author Pérez-González, E. es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Kucek, V. es_ES
dc.contributor.author Drasar, C. es_ES
dc.date.accessioned 2015-03-06T10:09:09Z
dc.date.available 2015-03-06T10:09:09Z
dc.date.issued 2011-11-28
dc.identifier.issn 1098-0121
dc.identifier.uri http://hdl.handle.net/10251/47799
dc.description.abstract We report an experimental and theoretical lattice dynamics study of antimony telluride (Sb 2Te 3) up to 26 GPa together with a theoretical study of its structural stability under pressure. Raman-active modes of the low-pressure rhombohedral (R-3m) phase were observed up to 7.7 GPa. Changes of the frequencies and linewidths were observed around 3.5 GPa where an electronic topological transition was previously found. Raman-mode changes evidence phase transitions at 7.7, 14.5, and 25GPa. The frequencies and pressure coefficients of the new phases above 7.7 and 14.5 GPa agree with those calculated for the monoclinic C2/m and C2/c structures recently observed at high pressures in Bi 2Te 3 and also for the C2/m phase in the case of Bi 2Se 3 and Sb 2Te 3. Above 25 GPa no Raman-active modes are observed in Sb 2Te 3, similarly to the case of Bi 2Te 3 and Bi 2Se 3. Therefore, it is possible that the structure of Sb 2Te 3 above 25 GPa is the same disordered bcc phase already found in Bi 2Te 3 by x-ray diffraction studies. Upon pressure release, Sb 2Te 3 reverts back to the original rhombohedral phase after considerable hysteresis. Raman- and IR-mode symmetries, frequencies, and pressure coefficients in the different phases are reported and discussed. © 2011 American Physical Society. es_ES
dc.description.sponsorship This work has been done under financial support from Spanish MICINN under Project Nos. MAT2010-21270-C04-03/04 and CSD-2007-00045 and supported by the Ministry of Education, Youth and Sports of the Czech Republic (MSM 0021627501). E. P.-G. acknowledges the financial support of the Spanish MEC under a FPI fellowship. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. en_EN
dc.language Inglés es_ES
dc.publisher American Physical Society es_ES
dc.relation Spanish MICINN [MAT2010-21270-C04-03/04, CSD-2007-00045] es_ES
dc.relation Ministry of Education, Youth and Sports of the Czech Republic [MSM 0021627501] es_ES
dc.relation Spanish MEC es_ES
dc.relation.ispartof Physical Review B es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Electronic topological transition es_ES
dc.subject Initio molecular-dynamics es_ES
dc.subject Total-Energy calculations es_ES
dc.subject Augmented-wave method es_ES
dc.subject Single dirac cone es_ES
dc.subject Thermoelectric properties es_ES
dc.subject Phase-transition es_ES
dc.subject Hydrostatic pressure es_ES
dc.subject Basis-set es_ES
dc.subject Bi2Te3 es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Lattice dynamics of Sb2Te3 at high pressures es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.84.174305
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.contributor.affiliation Universitat Politècnica de València. Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica - Centre de Tecnologies Físiques: Acústica, Materials i Astrofísica es_ES
dc.description.bibliographicCitation Gomis Hilario, O.; Vilaplana Cerda, RI.; Manjón Herrera, FJ.; Rodríguez-Hernández, P.; Pérez-González, E.; Muñoz, A.; Kucek, V.... (2011). Lattice dynamics of Sb2Te3 at high pressures. Physical Review B. 84:174305-1-174305-12. doi:10.1103/PhysRevB.84.174305 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://journals.aps.org/prb/pdf/10.1103/PhysRevB.84.174305 es_ES
dc.description.upvformatpinicio 174305-1 es_ES
dc.description.upvformatpfin 174305-12 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 84 es_ES
dc.relation.senia 206024
dc.identifier.eissn 1550-235X


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