Sabalisck, N.; Lopez Solano, J.; Guzmán-Afonso, C.; Santamaría Pérez, D.; González-Silgo, C.; Mújica, A.; Muñoz, A.... (2014). Effect of pressure on La-2(WO4)(3) with a modulated scheelite-type structure. Physical Review B (Condensed Matter). 89:1741121-17411211. doi:10.1103/PhysRevB.89.174112
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/60663
Title:
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Effect of pressure on La-2(WO4)(3) with a modulated scheelite-type structure
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Author:
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Sabalisck, N.P.
Lopez Solano, Javier
Guzmán-Afonso, C.
Santamaría Pérez, David
González-Silgo, C.
Mújica, Andrés
Muñoz, Alfonso
Rodríguez Hernández, Plácida
Radescu, Silvana
Vendrell, X.
Mestres, L.
Sans Tresserras, Juan Ángel
Manjón Herrera, Francisco Javier
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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. Departamento de Física Aplicada - Departament de Física Aplicada
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Issued date:
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Abstract:
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We have studied the effect of pressure on the structural and vibrational properties of lanthanum tritungstate
La2(WO4)3. This compound crystallizes under ambient conditions in the modulated scheelite-type structure
known ...[+]
We have studied the effect of pressure on the structural and vibrational properties of lanthanum tritungstate
La2(WO4)3. This compound crystallizes under ambient conditions in the modulated scheelite-type structure
known as the α phase. We have performed x-ray diffraction and Raman scattering measurements up to a pressure
of 20 GPa, as well as ab initio calculations within the framework of the density functional theory. Up to 5 GPa,
the three methods provide a similar picture of the evolution under pressure of α-La2(WO4)3. At 5 GPa, we begin
to observe some structural changes, and above 6 GPa we find that the x-ray patterns cannot be indexed as a
single phase. However, we find that a mixture of two phases with C2/c symmetry accounts for all diffraction
peaks. Our ab initio study confirms the existence of several C2/c structures, which are very close in energy in
this compression range. According to our measurements, a state with medium-range order appears at pressures
above 9 and 11 GPa, from x-ray diffraction and Raman experiments, respectively. Based upon our theoretical
calculations we propose several high-pressure candidates with high cationic coordinations at these pressures. The
compound evolves into a partially amorphous phase at pressures above 20 GPa.
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Subjects:
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Induced phase-transitions
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Augmented-wave method
,
Eu binary oxides
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Crystal stability
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X-ray
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Amorphization
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Awo(4)
,
Raman
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Copyrigths:
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Reserva de todos los derechos
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Source:
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Physical Review B (Condensed Matter). (issn:
0163-1829
)
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DOI:
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10.1103/PhysRevB.89.174112
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Publisher:
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American Physical Society
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Publisher version:
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http://dx.doi.org/10.1103/PhysRevB.89.174112
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Project ID:
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Spanish Ministerio de Economía y Competitividad MAT2010- 21270-C04-02/03/04
Spanish Ministerio de Econom´ıa y Competitividad CSD2007- 00045
Spanish Ministerio de Econom´ıa y Competitividad CTQ2009-14596-C02-01
Comunidad de Madrid and European Social Fund S2009/PPQ-1551-4161893
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Thanks:
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We acknowledge the financial support of the Spanish Ministerio de Economia y Competitividad under Grants MAT2010-21270-C04-02/03/04, CTQ2009-14596-C02-01, CSD2007-00045 and the Comunidad de Madrid and European Social Fund ...[+]
We acknowledge the financial support of the Spanish Ministerio de Economia y Competitividad under Grants MAT2010-21270-C04-02/03/04, CTQ2009-14596-C02-01, CSD2007-00045 and the Comunidad de Madrid and European Social Fund S2009/PPQ-1551-4161893. Access to the MALTA Cluster Computer (Universidad de Oviedo), the Atlante Super-computer (Instituto Tecnologico de Canarias, Red Espanola de Supercomputacion), and the MALTA Xcalibur Diffractometer (Universidad Complutense de Madrid) is gratefully acknowledged. C. G. A. wishes to thank the Agencia Canaria de Investigacion, Innovacion y Sociedad de la Informacion, and the European Social Fund of the Gobierno de Canarias for a fellowship. J.A.S. acknowledges financial support through the Juan de la Cierva fellowship program.
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Type:
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Artículo
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