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Structural and vibrational study of Bi2Se3 under high pressure

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Structural and vibrational study of Bi2Se3 under high pressure

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dc.contributor.author Vilaplana Cerda, Rosario Isabel es_ES
dc.contributor.author Santamaría-Pérez, D. es_ES
dc.contributor.author Gomis Hilario, Oscar es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author González, J. es_ES
dc.contributor.author Segura, A. es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Rodríguez-Hernández, P. es_ES
dc.contributor.author Pérez-González, E. es_ES
dc.contributor.author Marín-Borrás, V. es_ES
dc.contributor.author Muñoz-Sanjose, V. es_ES
dc.contributor.author Drasar, C. es_ES
dc.contributor.author Kucek, V. es_ES
dc.date.accessioned 2015-03-18T10:25:46Z
dc.date.available 2015-03-18T10:25:46Z
dc.date.issued 2011-11-28
dc.identifier.issn 1098-0121
dc.identifier.uri http://hdl.handle.net/10251/48118
dc.description.abstract The structural and vibrational properties of bismuth selenide (Bi 2Se 3) have been studied by means of x-ray diffraction and Raman scattering measurements up to 20 and 30 GPa, respectively. The measurements have been complemented with ab initio total-energy and lattice dynamics calculations. Our experimental results evidence a phase transition from the low-pressure rhombohedral (R-3m) phase (¿-Bi 2Se 3) with sixfold coordination for Bi to a monoclinic C2/m structure (ß-Bi 2Se 3) with sevenfold coordination for Bi above 10 GPa. The equation of state and the pressure dependence of the lattice parameters and volume of ¿ and ß phases of Bi 2Se 3 are reported. Furthermore, the presence of a pressure-induced electronic topological phase transition in ¿-Bi 2Se 3 is discussed. Raman measurements evidence that Bi 2Se 3 undergoes two additional phase transitions around 20 and 28 GPa, likely toward a monoclinic C2/c and a disordered body-centered cubic structure with 8-fold and 9- or 10-fold coordination, respectively. These two high-pressure structures are the same as those recently found at high pressures in Bi 2Te 3 and Sb 2Te 3. On pressure release, Bi 2Se 3 reverts to the original rhombohedral phase after considerable hysteresis. Symmetries, frequencies, and pressure coefficients of the Raman and infrared modes in the different phases are reported and discussed. © 2011 American Physical Society. es_ES
dc.description.sponsorship This work was done under financial support from Spanish Ministry of Science and Innovation under Projects No. MAT2007-66129, No. MAT2010-21270-C04-03/04, and No. CSD-2007-00045 and from the Valencian government under Project No. Prometeo/2011-035. It is also supported by the Ministry of Education, Youth and Sports of the Czech Republic Project No. MSM 0021627501. E.P.G. acknowledges the financial support of the Spanish Ministry of Education. Supercomputer time was provided by the Red Espanola de Supercomputacion and the MALTA cluster. en_EN
dc.language Inglés es_ES
dc.publisher American Physical Society 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 Active lattice-vibrations 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 Bi2Te3 es_ES
dc.subject Sb2Te3 es_ES
dc.subject Insulator es_ES
dc.subject Surface es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Structural and vibrational study of Bi2Se3 under high pressure es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.84.184110
dc.relation.projectID info:eu-repo/grantAgreement/MEC//MAT2007-66129/ES/OXIDOS SEMICONDUCTORES II-VI PARA LA OPTOELECTRONICA UV Y LA ESPINTRONICA/ / es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//PROMETEO%2F2011%2F035/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MSMT//0021627501/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-03/ES/MATERIALES, NANOMATERIALES Y AGREGRADOS BAJO CONDICIONES EXTREMAS. PROPIEDADES ELECTRONICAS Y DINAMICAS DESDE METODOS AB INITIO/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-04/ES/CRECIMIENTO Y CARACTERIZACION DE NANOESTRUCTURAS DE OXIDOS METALICOS BAJO ALTAS PRESIONES/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ 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 Vilaplana Cerda, RI.; Santamaría-Pérez, D.; Gomis Hilario, O.; Manjón Herrera, FJ.; González, J.; Segura, A.; Muñoz, A.... (2011). Structural and vibrational study of Bi2Se3 under high pressure. Physical Review B. 84:184110-1-184110-15. https://doi.org/10.1103/PhysRevB.84.184110 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://journals.aps.org/prb/pdf/10.1103/PhysRevB.84.184110 es_ES
dc.description.upvformatpinicio 184110-1 es_ES
dc.description.upvformatpfin 184110-15 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 84 es_ES
dc.relation.senia 206156
dc.identifier.eissn 1550-235X
dc.contributor.funder Generalitat Valenciana es_ES
dc.contributor.funder Ministry of Education, Youth and Sports, República Checa es_ES
dc.contributor.funder Ministerio de Educación es_ES
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