- -

Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Compartir/Enviar a

Citas

Estadísticas

  • Estadisticas de Uso

Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements

Mostrar el registro completo del ítem

Panchal, V.; López Moreno, S.; Santamaría-Pérez, D.; Errandonea, D.; Manjón Herrera, FJ.; Rodríguez-Hernández, P.; Muñoz, A.... (2011). Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements. Physical Review B. 84(2):24111-1-24111-12. doi:10.1103/PhysRevB.84.024111

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/48138

Ficheros en el ítem

Thumbnail
Nombre: CeVO4-final_PRB.pdf
Tamaño: 787.2Kb
Formato: PDF
Descripción: Versión del Autor.
Abrir/Preview
[Cerrado]
Nombre: V PANCHAL;S LOPEZ ...
Tamaño: 678.0Kb
Formato: PDF
Descripción: Versión editorial
Solicitar una copia al autor

Metadatos del ítem

Título: Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements
Autor: Panchal, V. López Moreno, S. Santamaría-Pérez, D. Errandonea, D. Manjón Herrera, Francisco Javier Rodríguez-Hernández, P. Muñoz, A. Achary, S. N. Tyagi, A. K.
Entidad UPV: Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada
Fecha difusión:
Resumen:
X-ray diffraction and Raman-scattering measurements on cerium vanadate have been performed up to 12 and 16 GPa, respectively. Experiments reveal at 5.3 GPa the onset of a pressure-induced irreversible phase transition from ...[+]
Palabras clave: Initio molecular-dynamics , Total-Energy calculations , Pressure-induced zircon , Augmented-wave method , Electronic-Properties , Basis-set , Crystals , Stability , Spectra , Metals
Derechos de uso: Reserva de todos los derechos
Fuente:
Physical Review B. (issn: 1098-0121 ) (eissn: 1550-235X )
DOI: 10.1103/PhysRevB.84.024111
Editorial:
American Physical Society
Versión del editor: http://journals.aps.org/prb/pdf/10.1103/PhysRevB.84.024111
Código del Proyecto:
info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/
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/
info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-02/ES/SINTESIS Y CARACTERIZACION DE MATERIALES CON IONES LUMINESCENTES BAJO CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/
info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-04/ES/CRECIMIENTO Y CARACTERIZACION DE NANOESTRUCTURAS DE OXIDOS METALICOS BAJO ALTAS PRESIONES/
Agradecimientos:
Research financed by the Spanish MCINN under Grant Nos. MAT2010-21270-C04-01/02/04, CSD2007-00045, and CTQ2009-14596-C02-01. Some of the authors are members of the MALTA Consolider Team. S. L.-M. acknowledges the financial ...[+]
Tipo: Artículo

References

Mullica, D. F., Sappenfield, E. L., Abraham, M. M., Chakoumakos, B. C., & Boatner, L. A. (1996). Structural investigations of several LnVO4 compounds. Inorganica Chimica Acta, 248(1), 85-88. doi:10.1016/0020-1693(95)04971-1

Aldred, A. T. (1984). Cell volumes of APO4, AVO4, and ANbO4 compounds, where A = Sc, Y, La–Lu. Acta Crystallographica Section B Structural Science, 40(6), 569-574. doi:10.1107/s0108768184002718

Ni, Y., Hughes, J. M., & Mariano, A. N. (1995). Crystal chemistry of the monazite and xenotime structures. American Mineralogist, 80(1-2), 21-26. doi:10.2138/am-1995-1-203 [+]
Mullica, D. F., Sappenfield, E. L., Abraham, M. M., Chakoumakos, B. C., & Boatner, L. A. (1996). Structural investigations of several LnVO4 compounds. Inorganica Chimica Acta, 248(1), 85-88. doi:10.1016/0020-1693(95)04971-1

Aldred, A. T. (1984). Cell volumes of APO4, AVO4, and ANbO4 compounds, where A = Sc, Y, La–Lu. Acta Crystallographica Section B Structural Science, 40(6), 569-574. doi:10.1107/s0108768184002718

Ni, Y., Hughes, J. M., & Mariano, A. N. (1995). Crystal chemistry of the monazite and xenotime structures. American Mineralogist, 80(1-2), 21-26. doi:10.2138/am-1995-1-203

Errandonea, D., Lacomba-Perales, R., Ruiz-Fuertes, J., Segura, A., Achary, S. N., & Tyagi, A. K. (2009). High-pressure structural investigation of several zircon-type orthovanadates. Physical Review B, 79(18). doi:10.1103/physrevb.79.184104

Tatsi, A., Stavrou, E., Boulmetis, Y. C., Kontos, A. G., Raptis, Y. S., & Raptis, C. (2008). Raman study of tetragonal TbPO4and observation of a first-order phase transition at high pressure. Journal of Physics: Condensed Matter, 20(42), 425216. doi:10.1088/0953-8984/20/42/425216

López-Solano, J., Rodríguez-Hernández, P., Muñoz, A., Gomis, O., Santamaría-Perez, D., Errandonea, D., … Raptis, C. (2010). Theoretical and experimental study of the structural stability ofTbPO4at high pressures. Physical Review B, 81(14). doi:10.1103/physrevb.81.144126

Lacomba-Perales, R., Errandonea, D., Meng, Y., & Bettinelli, M. (2010). High-pressure stability and compressibility ofAPO4(A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiation. Physical Review B, 81(6). doi:10.1103/physrevb.81.064113

Zhang, F. X., Wang, J. W., Lang, M., Zhang, J. M., Ewing, R. C., & Boatner, L. A. (2009). High-pressure phase transitions ofScPO4andYPO4. Physical Review B, 80(18). doi:10.1103/physrevb.80.184114

Zhang, F. X., Lang, M., Ewing, R. C., Lian, J., Wang, Z. W., Hu, J., & Boatner, L. A. (2008). Pressure-induced zircon-type to scheelite-type phase transitions in YbPO4 and LuPO4. Journal of Solid State Chemistry, 181(10), 2633-2638. doi:10.1016/j.jssc.2008.06.042

Errandonea, D., Santamaria-Perez, D., Bondarenko, T., & Khyzhun, O. (2010). New high-pressure phase of HfTiO4 and ZrTiO4 ceramics. Materials Research Bulletin, 45(11), 1732-1735. doi:10.1016/j.materresbull.2010.06.061

Errandonea, D., Santamaria-Perez, D., Achary, S. N., Tyagi, A. K., Gall, P., & Gougeon, P. (2011). High-pressure x-ray diffraction study of CdMoO4 and EuMoO4. Journal of Applied Physics, 109(4), 043510-043510-5. doi:10.1063/1.3553850

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

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

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

Errandonea, D., Segura, A., Martínez-García, D., & Muñoz-San Jose, V. (2009). Hall-effect and resistivity measurements in CdTe and ZnTe at high pressure: Electronic structure of impurities in the zinc-blende phase and the semimetallic or metallic character of the high-pressure phases. Physical Review B, 79(12). doi:10.1103/physrevb.79.125203

Errandonea, D. (2010). The melting curve of ten metals up to 12 GPa and 1600 K. Journal of Applied Physics, 108(3), 033517. doi:10.1063/1.3468149

Errandonea, D., Martínez-García, D., Segura, A., Ruiz-Fuertes, J., Lacomba-Perales, R., Fages, V., … Mũnoz-San José, V. (2006). High-pressure electrical transport measurements on p-type GaSe and InSe. High Pressure Research, 26(4), 513-516. doi:10.1080/08957950601101787

Mujica, A., Rubio, A., Muñoz, A., & Needs, R. J. (2003). High-pressure phases of group-IV, III–V, and II–VI compounds. Reviews of Modern Physics, 75(3), 863-912. doi:10.1103/revmodphys.75.863

Blöchl, P. E. (1994). Projector augmented-wave method. Physical Review B, 50(24), 17953-17979. doi:10.1103/physrevb.50.17953

Kresse, G., & Joubert, D. (1999). From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 59(3), 1758-1775. doi:10.1103/physrevb.59.1758

Kresse, G., & Hafner, J. (1993). Ab initiomolecular dynamics for liquid metals. Physical Review B, 47(1), 558-561. doi:10.1103/physrevb.47.558

Kresse, G., & Hafner, J. (1994). Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium. Physical Review B, 49(20), 14251-14269. doi:10.1103/physrevb.49.14251

Kresse, G., & Furthmüller, J. (1996). Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Materials Science, 6(1), 15-50. doi:10.1016/0927-0256(96)00008-0

Kresse, G., & Furthmüller, J. (1996). Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set. Physical Review B, 54(16), 11169-11186. doi:10.1103/physrevb.54.11169

Ganduglia-Pirovano, M. V., Hofmann, A., & Sauer, J. (2007). Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges. Surface Science Reports, 62(6), 219-270. doi:10.1016/j.surfrep.2007.03.002

Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., … Burke, K. (2008). Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. Physical Review Letters, 100(13). doi:10.1103/physrevlett.100.136406

Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J., & Sutton, A. P. (1998). Electron-energy-loss spectra and the structural stability of nickel oxide:  An LSDA+U study. Physical Review B, 57(3), 1505-1509. doi:10.1103/physrevb.57.1505

Da Silva, J. L. F., Ganduglia-Pirovano, M. V., & Sauer, J. (2007). Formation of the cerium orthovanadateCeVO4:DFT+Ustudy. Physical Review B, 76(12). doi:10.1103/physrevb.76.125117

Monkhorst, H. J., & Pack, J. D. (1976). Special points for Brillouin-zone integrations. Physical Review B, 13(12), 5188-5192. doi:10.1103/physrevb.13.5188

Range, K.-J., Meister, H., & Klement, U. (1990). Hochdruckumwandlungen von Cer(III)Orthovanadat(V), CeVO4 / High-Pressure Transformations of Cerium(III) Orthovanadate(V), CeVO4. Zeitschrift für Naturforschung B, 45(5), 598-602. doi:10.1515/znb-1990-0505

Gracia, L., Beltrán, A., & Errandonea, D. (2009). Characterization of theTiSiO4structure and its pressure-induced phase transformations: Density functional theory study. Physical Review B, 80(9). doi:10.1103/physrevb.80.094105

Huang, T., Lee, J.-S., Kung, J., & Lin, C.-M. (2010). Study of monazite under high pressure. Solid State Communications, 150(37-38), 1845-1850. doi:10.1016/j.ssc.2010.06.042

Yoshimura, M., & Sata, T. (1969). A New Monoclinic Phase of Cerium Orthovanadate (CeVO4). Bulletin of the Chemical Society of Japan, 42(11), 3195-3198. doi:10.1246/bcsj.42.3195

Tielens, F., Calatayud, M., Franco, R., Recio, J. M., Pérez-Ramírez, J., & Minot, C. (2006). Periodic DFT Study of the Structural and Electronic Properties of Bulk CoAl2O4Spinel. The Journal of Physical Chemistry B, 110(2), 988-995. doi:10.1021/jp053375l

Romiszowski, P., & Sikorski, A. (2005). Dynamics of polymer chains in confined space. A computer simulation study. Physica A: Statistical Mechanics and its Applications, 357(2), 356-363. doi:10.1016/j.physa.2005.06.036

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

Guedes, I., Hirano, Y., Grimsditch, M., Wakabayashi, N., Loong, C.-K., & Boatner, L. A. (2001). Raman study of phonon modes in ErVO4 single crystals. Journal of Applied Physics, 90(4), 1843-1846. doi:10.1063/1.1384858

Santos, C. C., Silva, E. N., Ayala, A. P., Guedes, I., Pizani, P. S., Loong, C.-K., & Boatner, L. A. (2007). Raman investigations of rare earth orthovanadates. Journal of Applied Physics, 101(5), 053511. doi:10.1063/1.2437676

Manjón, F. J., Rodríguez-Hernández, P., Muñoz, A., Romero, A. H., Errandonea, D., & Syassen, K. (2010). Lattice dynamics ofYVO4at high pressures. Physical Review B, 81(7). doi:10.1103/physrevb.81.075202

Panchal, V., Manjón, F. J., Errandonea, D., Rodriguez-Hernandez, P., López-Solano, J., Muñoz, A., … Tyagi, A. K. (2011). High-pressure study of ScVO4by Raman scattering andab initiocalculations. Physical Review B, 83(6). doi:10.1103/physrevb.83.064111

Garg, A. B., Rao, R., Sakuntala, T., Wani, B. N., & Vijayakumar, V. (2009). Phase stability of YbVO4 under pressure: In situ x-ray and Raman spectroscopic investigations. Journal of Applied Physics, 106(6), 063513. doi:10.1063/1.3223327

Rao, R., Garg, A. B., Sakuntala, T., Achary, S. N., & Tyagi, A. K. (2009). High pressure Raman scattering study on the phase stability of LuVO4. Journal of Solid State Chemistry, 182(7), 1879-1883. doi:10.1016/j.jssc.2009.05.003

Mittal, R., Garg, A. B., Vijayakumar, V., Achary, S. N., Tyagi, A. K., Godwal, B. K., … Chaplot, S. L. (2008). Investigation of the phase stability of LuVO4at high pressure using powder x-ray diffraction measurements and lattice dynamical calculations. Journal of Physics: Condensed Matter, 20(7), 075223. doi:10.1088/0953-8984/20/7/075223

Duclos, S. J., Jayaraman, A., Espinosa, G. P., Cooper, A. S., & Maines, R. G. (1989). Raman and optical absorption studies of the pressure-induced zircon to scheelite structure transformation in TbVO4 and DyV04. Journal of Physics and Chemistry of Solids, 50(8), 769-775. doi:10.1016/0022-3697(89)90055-3

Begun, G. M., Beall, G. W., Boatner, L. A., & Gregor, W. J. (1981). Raman spectra of the rare earth orthophosphates. Journal of Raman Spectroscopy, 11(4), 273-278. doi:10.1002/jrs.1250110411

Silva, E. N., Ayala, A. P., Guedes, I., Paschoal, C. W. A., Moreira, R. L., Loong, C.-K., & Boatner, L. A. (2006). Vibrational spectra of monazite-type rare-earth orthophosphates. Optical Materials, 29(2-3), 224-230. doi:10.1016/j.optmat.2005.09.001

Rousseau, D. L., Bauman, R. P., & Porto, S. P. S. (1981). Normal mode determination in crystals. Journal of Raman Spectroscopy, 10(1), 253-290. doi:10.1002/jrs.1250100152

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

Errandonea, D. (2007). Landau theory applied to phase transitions in calcium orthotungstate and isostructural compounds. Europhysics Letters (EPL), 77(5), 56001. doi:10.1209/0295-5075/77/56001

Hirano, Y., Guedes, I., Grimsditch, M., Loong, C.-K., Wakabayashi, N., & Boatner, L. A. (2004). Brillouin-Scattering Study of the Elastic Constants of ErVO4. Journal of the American Ceramic Society, 85(4), 1001-1003. doi:10.1111/j.1151-2916.2002.tb00209.x

Nipko, J. C., Loong, C.-K., Loewenhaupt, M., Braden, M., Reichardt, W., & Boatner, L. A. (1997). Lattice dynamics of xenotime: The phonon dispersion relations and density of states ofLuPO4. Physical Review B, 56(18), 11584-11592. doi:10.1103/physrevb.56.11584

Elliott, R. J., Harley, R. T., Hayes, W., & Smith, S. R. P. (1972). Raman Scattering and Theoretical Studies of Jahn-Teller Induced Phase Transitions in Some Rare-Earth Compounds. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 328(1573), 217-266. doi:10.1098/rspa.1972.0076

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

Zio´ŀkowski, J. (1985). New relation between ionic radii, bond length, and bond strength. Journal of Solid State Chemistry, 57(3), 269-290. doi:10.1016/0022-4596(85)90152-5

Errandonea, D., Kumar, R., López-Solano, J., Rodríguez-Hernández, P., Muñoz, A., Rabie, M. G., & Sáez Puche, R. (2011). Experimental and theoretical study of structural properties and phase transitions in YAsO4and YCrO4. Physical Review B, 83(13). doi:10.1103/physrevb.83.134109

Picardi, G., Varsano, F., Decker, F., Opara-Krasovec, U., Surca, A., & Orel, B. (1999). Electrochemical characterization of optically passive CeVO4 counterelectrodes. Electrochimica Acta, 44(18), 3157-3164. doi:10.1016/s0013-4686(99)00033-x

Petit, C. T. G., Lan, R., Cowin, P. I., Kraft, A., & Tao, S. (2010). Structure, conductivity and redox stability of solid solution Ce1−x Ca x VO4 (0 ≤ x ≤ 0.4125). Journal of Materials Science, 46(2), 316-326. doi:10.1007/s10853-010-4812-x

Dolgos, M. R., Paraskos, A. M., Stoltzfus, M. W., Yarnell, S. C., & Woodward, P. M. (2009). The electronic structures of vanadate salts: Cation substitution as a tool for band gap manipulation. Journal of Solid State Chemistry, 182(7), 1964-1971. doi:10.1016/j.jssc.2009.04.032

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

Errandonea, D., Boehler, R., & Ross, M. (2000). Melting of the Rare Earth Metals andf-Electron Delocalization. Physical Review Letters, 85(16), 3444-3447. doi:10.1103/physrevlett.85.3444

[-]

recommendations

 

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

Mostrar el registro completo del ítem