- -

High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Compartir/Enviar a

Citas

Estadísticas

  • Estadisticas de Uso

High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds

Mostrar el registro completo del ítem

Ruiz-Fuertes, J.; Errandonea, D.; López-Moreno, S.; González, J.; Gomis Hilario, O.; Vilaplana Cerda, RI.; Manjón Herrera, FJ.... (2011). High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds. Physical Review B. 83:214112-1-214112-11. https://doi.org/10.1103/PhysRevB.83.214112

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/47796

Ficheros en el ítem

Thumbnail
Nombre: Raman_MgWO_versio ...
Tamaño: 549.7Kb
Formato: PDF
Descripción: Versión del Autor.
Abrir/Preview
[Cerrado]
Nombre: J. Ruiz-Fuertes;D. ...
Tamaño: 628.1Kb
Formato: PDF
Descripción: Versión editorial
Solicitar una copia al autor

Metadatos del ítem

Título: High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds
Autor: Ruiz-Fuertes, J. Errandonea, D. López-Moreno, S. González, J. Gomis Hilario, Oscar Vilaplana Cerda, Rosario Isabel Manjón Herrera, Francisco Javier Muñoz, A. Rodríguez-Hernández, P. Friedrich, A. Tupitsyna, I. A. Nagornaya, L. L.
Entidad UPV: Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica - Centre de Tecnologies Físiques: Acústica, Materials i Astrofísica
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:
Raman scattering measurements and lattice-dynamics calculations were performed on magnesium tungstate (MgWO 4) under high pressure up to 41 GPa. Experiments were carried out on a selection of pressure media. The influence ...[+]
Palabras clave: Initio molecular-dynamics , Total-Energy calculations , Augmented-wave method , Crystal-structure , Basis-set , Tungstates , Wolframite , Metal , Transition , Phases
Derechos de uso: Reserva de todos los derechos
Fuente:
Physical Review B. (issn: 1098-0121 ) (eissn: 1550-235X )
DOI: 10.1103/PhysRevB.83.214112
Editorial:
American Physical Society
Versión del editor: http://journals.aps.org/prb/pdf/10.1103/PhysRevB.83.214112
Código del Proyecto:
info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/
...[+]
info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/
info:eu-repo/grantAgreement/UPV//UPV2010-0096/
info:eu-repo/grantAgreement/DFG//FR2491%2F2-1/
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 was financed by the Spanish Ministerio de Educacion y Ciencia (MEC) under Grants No. MAT2010-21270-C04-01/02/04, and No. CSD-2007-00045. J. R.-F. thanks the MEC for support through the FPI program, as well as the ...[+]
Tipo: Artículo

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

Zhao, J.-H., Liu, T., Guo, S.-S., Guan, J., & Wang, X.-L. (2010). Optical properties of planar waveguides on ZnWO_4 formed by carbon and helium ion implantation and effects of annealing. Optics Express, 18(18), 18989. doi:10.1364/oe.18.018989

Lacomba-Perales, R., Ruiz-Fuertes, J., Errandonea, D., Martínez-García, D., & Segura, A. (2008). Optical absorption of divalent metal tungstates: Correlation between the band-gap energy and the cation ionic radius. EPL (Europhysics Letters), 83(3), 37002. doi:10.1209/0295-5075/83/37002 [+]
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

Zhao, J.-H., Liu, T., Guo, S.-S., Guan, J., & Wang, X.-L. (2010). Optical properties of planar waveguides on ZnWO_4 formed by carbon and helium ion implantation and effects of annealing. Optics Express, 18(18), 18989. doi:10.1364/oe.18.018989

Lacomba-Perales, R., Ruiz-Fuertes, J., Errandonea, D., Martínez-García, D., & Segura, A. (2008). Optical absorption of divalent metal tungstates: Correlation between the band-gap energy and the cation ionic radius. EPL (Europhysics Letters), 83(3), 37002. doi:10.1209/0295-5075/83/37002

Mikhailik, V. B., Kraus, H., Kapustyanyk, V., Panasyuk, M., Prots, Y., Tsybulskyi, V., & Vasylechko, L. (2008). Structure, luminescence and scintillation properties of the MgWO4–MgMoO4system. Journal of Physics: Condensed Matter, 20(36), 365219. doi:10.1088/0953-8984/20/36/365219

Sleight, A. W. (1972). Accurate cell dimensions for ABO4 molybdates and tungstates. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 28(10), 2899-2902. doi:10.1107/s0567740872007186

Ruiz-Fuertes, J., López-Moreno, S., Errandonea, D., Pellicer-Porres, J., Lacomba-Perales, R., Segura, A., … González, J. (2010). High-pressure phase transitions and compressibility of wolframite-type tungstates. Journal of Applied Physics, 107(8), 083506. doi:10.1063/1.3380848

Macavei, J., & Schulz, H. (1993). The crystal structure of wolframite type tungstates at high pressure. Zeitschrift für Kristallographie - Crystalline Materials, 207(2). doi:10.1524/zkri.1993.207.part-2.193

Errandonea, D., Manjón, F. J., Garro, N., Rodríguez-Hernández, P., Radescu, S., Mujica, A., … Tu, C. Y. (2008). Combined Raman scattering andab initioinvestigation of pressure-induced structural phase transitions in the scintillatorZnWO4. Physical Review B, 78(5). doi:10.1103/physrevb.78.054116

Lacomba-Perales, R., Errandonea, D., Martinez-Garcia, D., Rodríguez-Hernández, P., Radescu, S., Mujica, A., … Polian, A. (2009). Phase transitions in wolframite-typeCdWO4at high pressure studied by Raman spectroscopy and density-functional theory. Physical Review B, 79(9). doi:10.1103/physrevb.79.094105

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

López-Moreno, S., Romero, A. H., Rodríguez-Hernández, P., & Muñoz, A. (2009). Ab initiocalculations of the wolframite MnWO4under high pressure. High Pressure Research, 29(4), 578-581. doi:10.1080/08957950903438481

Danevich, F. A., Chernyak, D. M., Dubovik, A. M., Grinyov, B. V., Henry, S., Kraus, H., … Vostretsov, Y. Y. (2009). MgWO4–A new crystal scintillator. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 608(1), 107-115. doi:10.1016/j.nima.2009.06.040

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

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

Perdew, J. P., Burke, K., & Ernzerhof, M. (1996). Generalized Gradient Approximation Made Simple. Physical Review Letters, 77(18), 3865-3868. doi:10.1103/physrevlett.77.3865

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

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

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

Iliev, M. N., Gospodinov, M. M., & Litvinchuk, A. P. (2009). Raman spectroscopy ofMnWO4. Physical Review B, 80(21). doi:10.1103/physrevb.80.212302

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

Wilkinson, C., & Sprague, M. J. (1977). The magnetic structures of NiWO4and CoWO4. Zeitschrift für Kristallographie, 145(1-2), 96-107. doi:10.1524/zkri.1977.145.1-2.96

García-Matres, E., Stüßer, N., Hofmann, M., & Reehuis, M. (2003). Magnetic phases in Mn Fe WO studied by neutron powder diffraction. The European Physical Journal B, 32(1), 35-42. doi:10.1140/epjb/e2003-00071-1

Weitzel, H. (1976). Kristallstrukturverfeinerung von Wolframiten und Columbiten. Zeitschrift für Kristallographie, 144(1-6), 238-258. doi:10.1524/zkri.1976.144.1-6.238

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

Errandonea, D., Santamaría-Perez, D., Vegas, A., Nuss, J., Jansen, M., Rodríguez-Hernandez, P., & Muñoz, A. (2008). Structural stability ofFe5Si3andNi2Sistudied by high-pressure x-ray diffraction andab initiototal-energy calculations. Physical Review B, 77(9). doi:10.1103/physrevb.77.094113

Kuzmin, A., Kalinko, A., & Evarestov, R. (2011). First-principles LCAO study of phonons in NiWO4. Open Physics, 9(2). doi:10.2478/s11534-010-0091-z

Errandonea, D., Boehler, R., Japel, S., Mezouar, M., & Benedetti, L. R. (2006). Structural transformation of compressed solid Ar: An x-ray diffraction study to114GPa. Physical Review B, 73(9). doi:10.1103/physrevb.73.092106

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

Errandonea, D., Pellicer-Porres, J., Manjón, F. J., Segura, A., Ferrer-Roca, C., Kumar, R. S., … Aquilanti, G. (2005). High-pressure structural study of the scheelite tungstatesCaWO4andSrWO4. Physical Review B, 72(17). doi:10.1103/physrevb.72.174106

[-]

recommendations

 

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

Mostrar el registro completo del ítem