- -

Complex high-pressure polymorphism of barium tungstate

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Compartir/Enviar a

Citas

Estadísticas

  • Estadisticas de Uso

Complex high-pressure polymorphism of barium tungstate

Mostrar el registro sencillo del ítem

Ficheros en el ítem

Thumbnail
Nombre: Gomis_BaWO4_versi ...
Tamaño: 1.989Mb
Formato: PDF
Descripción: Versión del Autor.
Abrir
[Cerrado]
Nombre: Gomis;RAÚL LACOMBA ...
Tamaño: 777.7Kb
Formato: PDF
Descripción: Versión editorial
Solicitar una copia al autor
dc.contributor.author Gomis Hilario, Oscar es_ES
dc.contributor.author Sans, J. A. es_ES
dc.contributor.author Lacomba-Perales, R. es_ES
dc.contributor.author Errandonea, D. es_ES
dc.contributor.author Meng, Y. es_ES
dc.contributor.author Chervin, J. C. es_ES
dc.contributor.author Polian, A. es_ES
dc.date.accessioned 2015-03-06T10:13:04Z
dc.date.available 2015-03-06T10:13:04Z
dc.date.issued 2012-08-27
dc.identifier.issn 1098-0121
dc.identifier.uri http://hdl.handle.net/10251/47801
dc.description.abstract We have studied BaWO 4 under compression at room temperature by means of x-ray diffraction and Raman spectroscopy. When compressed with neon as a pressure-transmitting medium (quasihydrostatic conditions), we found that BaWO 4 transforms from its low-pressure tetragonal structure into a much denser monoclinic structure. This result confirms our previous theoretical prediction based on ab initio calculations that the scheelite to BaWO 4-II transition occurs at room temperature if kinetic barriers are suppressed by pressure. However, our experiment without any pressure- transmitting medium has resulted in a phase transition to a completely different structure, suggesting nonhydrostaticity may be responsible for previously reported rich polymorphism in BaWO 4. The crystal structure of the low- and high-pressure phases from the quasihydrostatic experiments has been Rietveld refined. Additionally, for the tetragonal phase the effects of pressure on the unit-cell volume and lattice parameters are discussed. Finally, the pressure evolution of the Raman modes of different phases is reported and compared with previous studies. © 2012 American Physical Society. es_ES
dc.description.sponsorship This research was supported by Spanish MEC (Grant No. MAT2010-21270-C04-01/04), MALTA Consolider Ingenio 2010 (Grant No. CSD2007-00045), and Vicerrectorado de Investigacion y Desarrollo of the Universitat Politecnica de Valencia (Grants No. UPV2011-0914 PAID-05-11 and No. UPV2011-0966 PAID-06-11). XRD data were collected at HPCAT, Advanced Photon Source (APS), Argonne National Laboratory. HPCAT is supported by CIW, CDAC, UNLV, and LLNL through funding from DOE-NNSA, DOE-BES, and NSF. APS is supported by DOE-BES under Contract No. DEAC02-06CH11357. 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 X-ray es_ES
dc.subject Powder Diffraction es_ES
dc.subject Bawo4 es_ES
dc.subject Crystal es_ES
dc.subject Refinement es_ES
dc.subject Transition es_ES
dc.subject Caoo4 es_ES
dc.subject Cell es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Complex high-pressure polymorphism of barium tungstate es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.86.054121
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/MICINN//MAT2010-21270-C04-01/ES/SINTESIS Y CARACTERIZACION OPTICA, ELECTRONICA, ESTRUCTURAL Y VIBRACIONAL DE NUEVOS MATERIALES BAJO CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//PAID-05-11-UPV2011-0914/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//PAID-06-11-UPV2011-0966/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/DOE//DEAC02-06CH11357/ 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.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.; Sans, JA.; Lacomba-Perales, R.; Errandonea, D.; Meng, Y.; Chervin, JC.; Polian, A. (2012). Complex high-pressure polymorphism of barium tungstate. Physical Review B. 86:54121-1-54121-10. https://doi.org/10.1103/PhysRevB.86.054121 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://journals.aps.org/prb/pdf/10.1103/PhysRevB.86.054121 es_ES
dc.description.upvformatpinicio 54121-1 es_ES
dc.description.upvformatpfin 54121-10 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 86 es_ES
dc.relation.senia 223877
dc.identifier.eissn 1550-235X
dc.contributor.funder Ministerio de Educación y Ciencia es_ES
dc.contributor.funder Ministerio de Ciencia e Innovación es_ES
dc.contributor.funder Universitat Politècnica de València es_ES
dc.contributor.funder U.S. Department of Energy es_ES
dc.description.references Gürmen, E., Daniels, E., & King, J. S. (1971). Crystal Structure Refinement of SrMoO4, SrWO4, CaMoO4, and BaWO4 by Neutron Diffraction. The Journal of Chemical Physics, 55(3), 1093-1097. doi:10.1063/1.1676191 es_ES
dc.description.references Errandonea, D., & Manjón, F. J. (2008). Pressure effects on the structural and electronic properties of ABX4 scintillating crystals. Progress in Materials Science, 53(4), 711-773. doi:10.1016/j.pmatsci.2008.02.001 es_ES
dc.description.references Tan, D., Xiao, W., Zhou, W., Chen, M., Zhou, W., Li, X., … Liu, J. (2012). High pressure X-ray diffraction study on BaWO4-II. High Pressure Research, 1-8. doi:10.1080/08957959.2012.658789 es_ES
dc.description.references Lacomba-Perales, R., Errandonea, D., Segura, A., Ruiz-Fuertes, J., Rodríguez-Hernández, P., Radescu, S., … Muñoz, A. (2011). A combined high-pressure experimental and theoretical study of the electronic band-structure of scheelite-type AWO4 (A = Ca, Sr, Ba, Pb) compounds. Journal of Applied Physics, 110(4), 043703. doi:10.1063/1.3622322 es_ES
dc.description.references Lacomba-Perales, R., Martinez-García, D., Errandonea, D., Le Godec, Y., Philippe, J., Le Marchand, G., … López-Solano, J. (2010). Experimental and theoretical investigation of the stability of the monoclinicBaWO4-II phase at high pressure and high temperature. Physical Review B, 81(14). doi:10.1103/physrevb.81.144117 es_ES
dc.description.references Da-Yong, T., Wan-Sheng, X., Wen-Ge, Z., Mao-Shuang, S., Xiao-Lin, X., & Ming, C. (2009). Raman Investigation of BaWO4-II Phase under Hydrostatic Pressures up to 14.8 GPa. Chinese Physics Letters, 26(4), 046301. doi:10.1088/0256-307x/26/4/046301 es_ES
dc.description.references Manjón, F. J., Errandonea, D., Garro, N., Pellicer-Porres, J., Rodríguez-Hernández, P., Radescu, S., … Muñoz, A. (2006). Lattice dynamics study of scheelite tungstates under high pressure I.BaWO4. Physical Review B, 74(14). doi:10.1103/physrevb.74.144111 es_ES
dc.description.references Grzechnik, A., Crichton, W. A., Marshall, W. G., & Friese, K. (2006). High-pressure x-ray and neutron powder diffraction study of PbWO4and BaWO4scheelites. Journal of Physics: Condensed Matter, 18(11), 3017-3029. doi:10.1088/0953-8984/18/11/008 es_ES
dc.description.references Errandonea, D., Pellicer-Porres, J., Manjón, F. J., Segura, A., Ferrer-Roca, C., Kumar, R. S., … Aquilanti, G. (2006). Determination of the high-pressure crystal structure ofBaWO4andPbWO4. Physical Review B, 73(22). doi:10.1103/physrevb.73.224103 es_ES
dc.description.references Panchal, V., Garg, N., Chauhan, A. K., Sangeeta, & Sharma, S. M. (2004). High pressure phase transitions in BaWO4. Solid State Communications, 130(3-4), 203-208. doi:10.1016/j.ssc.2004.01.043 es_ES
dc.description.references Jayaraman, A., Batlogg, B., & VanUitert, L. G. (1983). High-pressure Raman study of alkaline-earth tungstates and a new pressure-induced phase transition in BaWO4. Physical Review B, 28(8), 4774-4777. doi:10.1103/physrevb.28.4774 es_ES
dc.description.references Kawada, I., Kato, K., & Fujita, T. (1974). BaWO4-II (a high-pressure form). Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 30(8), 2069-2071. doi:10.1107/s0567740874006431 es_ES
dc.description.references Fujita, T., Yamaoka, S., & Fukunaga, O. (1974). Pressure induced phase transformation in BaWO4. Materials Research Bulletin, 9(2), 141-146. doi:10.1016/0025-5408(74)90193-7 es_ES
dc.description.references Manjon, F. J., Errandonea, D., Garro, N., Pellicer-Porres, J., López-Solano, J., Rodríguez-Hernández, P., … Muñoz, A. (2006). Lattice dynamics study of scheelite tungstates under high pressure II.PbWO4. Physical Review B, 74(14). doi:10.1103/physrevb.74.144112 es_ES
dc.description.references Errandonea, D., Martínez-García, D., Lacomba-Perales, R., Ruiz-Fuertes, J., & Segura, A. (2006). Effects of high pressure on the optical absorption spectrum of scintillating PbWO4 crystals. Applied Physics Letters, 89(9), 091913. doi:10.1063/1.2345228 es_ES
dc.description.references Mao, H. K., Xu, J., & Bell, P. M. (1986). Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. Journal of Geophysical Research, 91(B5), 4673. doi:10.1029/jb091ib05p04673 es_ES
dc.description.references Klotz, S., Chervin, J.-C., Munsch, P., & Le Marchand, G. (2009). Hydrostatic limits of 11 pressure transmitting media. Journal of Physics D: Applied Physics, 42(7), 075413. doi:10.1088/0022-3727/42/7/075413 es_ES
dc.description.references Hammersley, A. P., Svensson, S. O., Hanfland, M., Fitch, A. N., & Hausermann, D. (1996). Two-dimensional detector software: From real detector to idealised image or two-theta scan. High Pressure Research, 14(4-6), 235-248. doi:10.1080/08957959608201408 es_ES
dc.description.references Holland, T. J. B., & Redfern, S. A. T. (1997). Unit cell refinement from powder diffraction data: the use of regression diagnostics. Mineralogical Magazine, 61(404), 65-77. doi:10.1180/minmag.1997.061.404.07 es_ES
dc.description.references Toby, B. H. (2001). EXPGUI, a graphical user interface forGSAS. Journal of Applied Crystallography, 34(2), 210-213. doi:10.1107/s0021889801002242 es_ES
dc.description.references Kraus, W., & Nolze, G. (1996). POWDER CELL – a program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns. Journal of Applied Crystallography, 29(3), 301-303. doi:10.1107/s0021889895014920 es_ES
dc.description.references Birch, F. (1978). Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K. Journal of Geophysical Research, 83(B3), 1257. doi:10.1029/jb083ib03p01257 es_ES
dc.description.references Liu, H., Ding, Y., Somayazulu, M., Qian, J., Shu, J., Häusermann, D., & Mao, H. (2005). Rietveld refinement study of the pressure dependence of the internal structural parameteruin the wurtzite phase of ZnO. Physical Review B, 71(21). doi:10.1103/physrevb.71.212103 es_ES
dc.description.references Liu, H., Hu, J., Shu, J., Häusermann, D., & Mao, H. (2004). Lack of the critical pressure for weakening of size-induced stiffness in 3C–SiC nanocrystals under hydrostatic compression. Applied Physics Letters, 85(11), 1973-1975. doi:10.1063/1.1789240 es_ES
dc.description.references Ruiz-Fuertes, J., Errandonea, D., Lacomba-Perales, R., Segura, A., González, J., Rodríguez, F., … Tu, C. Y. (2010). High-pressure structural phase transitions inCuWO4. Physical Review B, 81(22). doi:10.1103/physrevb.81.224115 es_ES
dc.description.references Santamaría-Pérez, D., Gracia, L., Garbarino, G., Beltrán, A., Chuliá-Jordán, R., Gomis, O., … Segura, A. (2011). High-pressure study of the behavior of mineral barite by x-ray diffraction. Physical Review B, 84(5). doi:10.1103/physrevb.84.054102 es_ES
dc.description.references Finger, L. W., Kroeker, M., & Toby, B. H. (2007). DRAWxtl, an open-source computer program to produce crystal structure drawings. Journal of Applied Crystallography, 40(1), 188-192. doi:10.1107/s0021889806051557 es_ES
dc.description.references Achary, S. N., Patwe, S. J., Mathews, M. D., & Tyagi, A. K. (2006). High temperature crystal chemistry and thermal expansion of synthetic powellite (CaMoO4): A high temperature X-ray diffraction (HT-XRD) study. Journal of Physics and Chemistry of Solids, 67(4), 774-781. doi:10.1016/j.jpcs.2005.11.009 es_ES
dc.description.references Machon, D., Dmitriev, V. P., Bouvier, P., Timonin, P. N., Shirokov, V. B., & Weber, H.-P. (2003). Pseudoamorphization ofCs2HgBr4. Physical Review B, 68(14). doi:10.1103/physrevb.68.144104 es_ES
dc.description.references Ruiz-Fuertes, J., Friedrich, A., Pellicer-Porres, J., Errandonea, D., Segura, A., Morgenroth, W., … Polian, A. (2011). Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn–Teller Distortion. Chemistry of Materials, 23(18), 4220-4226. doi:10.1021/cm201592h es_ES
dc.description.references Errandonea, D., Meng, Y., Somayazulu, M., & Häusermann, D. (2005). Pressure-induced transition in titanium metal: a systematic study of the effects of uniaxial stress. Physica B: Condensed Matter, 355(1-4), 116-125. doi:10.1016/j.physb.2004.10.030 es_ES
dc.description.references Errandonea, D., Kumar, R. S., Ruiz-Fuertes, J., Segura, A., & Haussühl, E. (2011). High-pressure study of substrate material ScAlMgO4. Physical Review B, 83(14). doi:10.1103/physrevb.83.144104 es_ES
dc.description.references Wang, J.-T., Chen, C., & Kawazoe, Y. (2011). Low-Temperature Phase Transformation from Graphite tosp3Orthorhombic Carbon. Physical Review Letters, 106(7). doi:10.1103/physrevlett.106.075501 es_ES
dc.description.references Errandonea, D., & Manjón, F. J. (2009). On the ferroelastic nature of the scheelite-to-fergusonite phase transition in orthotungstates and orthomolybdates. Materials Research Bulletin, 44(4), 807-811. doi:10.1016/j.materresbull.2008.09.024 es_ES
dc.description.references Maczka, M., Souza Filho, A. G., Paraguassu, W., Freire, P. T. C., Mendes Filho, J., & Hanuza, J. (2012). Pressure-induced structural phase transitions and amorphization in selected molybdates and tungstates. Progress in Materials Science, 57(7), 1335-1381. doi:10.1016/j.pmatsci.2012.01.001 es_ES
dc.description.references Flórez, M., Contreras-García, J., Recio, J. M., & Marqués, M. (2009). Quantum-mechanical calculations of zircon to scheelite transition pathways inZrSiO4. Physical Review B, 79(10). doi:10.1103/physrevb.79.104101 es_ES
dc.description.references Errandonea, D., Gracia, L., Beltrán, A., Vegas, A., & Meng, Y. (2011). Pressure-induced phase transitions in AgClO4. Physical Review B, 84(6). doi:10.1103/physrevb.84.064103 es_ES


Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem