Lopez-Solano, J.; Rodriguez-Hernandez, P.; Muñoz, A.; Santamaria-Perez, D.; Manjón Herrera, FJ.; Ray, S.; Gomis Hilario, O.... (2011). High-pressure theoretical and experimental study of HgWO4. High Pressure Research. 31(1):58-63. doi:10.1080/08957959.2010.521735
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/44703
Title:
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High-pressure theoretical and experimental study of HgWO4
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Author:
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Lopez-Solano, J.
Rodriguez-Hernandez, Plácida
Muñoz, A.
Santamaria-Perez, David
Manjón Herrera, Francisco Javier
Ray, S.
Gomis Hilario, Oscar
Mollar García, Miguel Alfonso
Panchal, V.
Errandonea, Daniel
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UPV Unit:
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Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada
Universitat Politècnica de València. Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica - Centre de Tecnologies Físiques: Acústica, Materials i Astrofísica
Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
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Issued date:
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Abstract:
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HgWO 4 at ambient pressure is characterized using a combination of ab initio calculations, X-ray diffraction and Raman scattering measurements. The effect of low pressure and temperature on the structural stability is ...[+]
HgWO 4 at ambient pressure is characterized using a combination of ab initio calculations, X-ray diffraction and Raman scattering measurements. The effect of low pressure and temperature on the structural stability is analysed. Extending our ab initio study to the range of higher pressures, a sequence of stable phases up to 30GPa is proposed. © 2011 Taylor & Francis.
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Subjects:
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Phase transitions
,
Tungstates
,
Ab initio calculations
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Raman scattering
,
X-ray diffraction
,
Ab initio study
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Ambient pressures
,
Experimental studies
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Low pressures
,
Raman Scattering measurements
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Stable phasis
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Structural stabilities
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Diffraction
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Pressure effects
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Scattering
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Stability
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Tungsten compounds
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X ray diffraction
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X rays
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Calculations
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Copyrigths:
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Reserva de todos los derechos
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Source:
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High Pressure Research. (issn:
0895-7959
) (eissn:
1477-2299
)
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DOI:
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10.1080/08957959.2010.521735
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Publisher:
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Taylor & Francis
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Publisher version:
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http://www.tandfonline.com/doi/abs/10.1080/08957959.2010.521735#.Uo3ol9Iz2Xw
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Project ID:
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Spanish MEC [MAT2007-65990-C03-01/03, MAT2010-21270-C04-03/04, CSD-2007-00045]
Vicerrectorado de Innovacion y Desarrollo de la UPV [UPV2010-0096, PAID-02-09-3085]
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Description:
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This is an Author's Accepted Manuscript of an article published in Lopez-Solano, J.; Rodriguez-Hernandez, P.; Muñoz, A.; Santamaria-Perez, D. et al.(2011). High-pressure theoretical and experimental study of HgWO4. High Pressure Research. 31(1):58-63. doi:10.1080/08957959.2010.521735
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Thanks:
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We thank J.M. Menendez for his help in the use of the GIBBS code. This work has been supported by the Spanish MEC under Projects MAT2007-65990-C03-01/03, MAT2010-21270-C04-03/04 and CSD-2007-00045 and by the "Vicerrectorado ...[+]
We thank J.M. Menendez for his help in the use of the GIBBS code. This work has been supported by the Spanish MEC under Projects MAT2007-65990-C03-01/03, MAT2010-21270-C04-03/04 and CSD-2007-00045 and by the "Vicerrectorado de Innovacion y Desarrollo de la UPV" (PAID-05-2009 through project UPV2010-0096). We gratefully acknowledge computational time provided by the "Red Espanola de Supercomputacion" at the supercomputer "Atlante". S. R. acknowledges financial support from the "Vicerrectorado de Investigacion de la UPV" through grant PAID-02-09-3085.
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Type:
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Artículo
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