High-pressure structural phase transition in MnWO4

The pressure-induced phase transition of the multiferroic manganese tungstate MnWO4 is studied on single crystals using synchrotron x-ray diffraction and Raman spectroscopy. We observe the monoclinic P2/c to triclinic P (1) over bar phase transition at 20.1 GPa and get insight on the phase transition mechanism from the appearance of tilted triclinic domains. Selective Raman spectroscopy experiments with single crystals have shown that the onset of the phase transition occurs 5 GPa below the previously reported pressure obtained from experiments performed with powder samples.The authors thank Professor M. M. Gospodinov from the Institute of Solid State Physics of Bulgaria for providing single-crystal samples of MnWO4. This research was partially supported by the Spanish government MINECO under Grant No. MAT2013-46649-C4-1/2-P and by Generalitat Valenciana Grants No. ACOMP-2013-1012 and No. ACOMP-2014-243. We acknowledge Diamond Light Source for time on beamline I15 under proposal EE6517 and I15 beamline scientist for technical support. DESY-Photon Science is gratefully acknowledged. PETRA III at DESY is a member of the Helmholtz Association (HGF). J.R.-F. thanks the Alexander von Humboldt Foundation for a postdoctoral fellowship and T. Bernert from the Max-Planck Institut fur Kohlenforschung for fruitful discussions. A.F. acknowledges financial support from the DFG within the priority program SPP1236 (Project No. FR2491/2-1), W.M. acknowledges the BMBF (Projects No. 05K10RFA and No. 05K13RF1), and J.A.S. acknowledges the MINECO for a Juan de la Cierva postdoctoral fellowship.Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans Tresserras, JÁ.; Santamaria-Perez, D. (2015). High-pressure structural phase transition in MnWO4. Physical review B: Condensed matter and materials physics. 91(10):104109-1-104109-7. https://doi.org/10.1103/PhysRevB.91.104109S104109-1104109-79110Cheong, S.-W., & Mostovoy, M. (2007). Multiferroics: a magnetic twist for ferroelectricity. Nature Materials, 6(1), 13-20. doi:10.1038/nmat1804Finger, T., Senff, D., Schmalzl, K., Schmidt, W., Regnault, L. P., Becker, P., … Braden, M. (2010). Electric-field control of the chiral magnetism of multiferroicMnWO4as seen via polarized neutron diffraction. Physical Review B, 81(5). doi:10.1103/physrevb.81.054430Sleight, 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/s0567740872007186Dachs, H., Weitzel, H., & Stoll, E. (1966). Magnetic structure of manganesetungstate MnWO4 at 4.2°K. Solid State Communications, 4(9), 473-474. doi:10.1016/0038-1098(66)90333-4Dachs, H., Stoll, E., & Weitzel, H. (1967). Kristallstruktur und magnetische Ordnung des Hübnerits, MnWO4. Zeitschrift für Kristallographie, 125(125), 120-129. doi:10.1524/zkri.1967.125.125.120Lautenschläger, G., Weitzel, H., Vogt, T., Hock, R., Böhm, A., Bonnet, M., & Fuess, H. (1993). Magnetic phase transitions ofMnWO4studied by the use of neutron diffraction. Physical Review B, 48(9), 6087-6098. doi:10.1103/physrevb.48.6087Taniguchi, K., Abe, N., Takenobu, T., Iwasa, Y., & Arima, T. (2006). Ferroelectric Polarization Flop in a Frustrated MagnetMnWO4Induced by a Magnetic Field. Physical Review Letters, 97(9). doi:10.1103/physrevlett.97.097203Heyer, O., Hollmann, N., Klassen, I., Jodlauk, S., Bohatý, L., Becker, P., … Khomskii, D. (2006). A new multiferroic material: MnWO4. Journal of Physics: Condensed Matter, 18(39), L471-L475. doi:10.1088/0953-8984/18/39/l01Meier, D., Maringer, M., Lottermoser, T., Becker, P., Bohatý, L., & Fiebig, M. (2009). Observation and Coupling of Domains in a Spin-Spiral Multiferroic. Physical Review Letters, 102(10). doi:10.1103/physrevlett.102.107202Urcelay-Olabarria, I., Perez-Mato, J. M., Ribeiro, J. L., García-Muñoz, J. L., Ressouche, E., Skumryev, V., & Mukhin, A. A. (2013). Incommensurate magnetic structures of multiferroic MnWO4studied within the superspace formalism. Physical Review B, 87(1). doi:10.1103/physrevb.87.014419Nojiri, H., Yoshii, S., Yasui, M., Okada, K., Matsuda, M., Jung, J.-S., … Gaulin, B. D. (2011). Neutron Laue Diffraction Study on the Magnetic Phase Diagram of MultiferroicMnWO4under Pulsed High Magnetic Fields. Physical Review Letters, 106(23). doi:10.1103/physrevlett.106.237202Chaudhury, R. P., Yen, F., dela Cruz, C. R., Lorenz, B., Wang, Y. Q., Sun, Y. Y., & Chu, C. W. (2008). Thermal expansion and pressure effect in. Physica B: Condensed Matter, 403(5-9), 1428-1430. doi:10.1016/j.physb.2007.10.327Macavei, 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-2.193Ruiz-Fuertes, J., López-Moreno, S., López-Solano, J., Errandonea, D., Segura, A., Lacomba-Perales, R., … Tu, C. Y. (2012). Pressure effects on the electronic and optical properties ofAWO4wolframites (A =Cd, Mg, Mn, and Zn): The distinctive behavior of multiferroic MnWO4. Physical Review B, 86(12). doi:10.1103/physrevb.86.125202Ruiz-Fuertes, J., Errandonea, D., Gomis, O., Friedrich, A., & Manjón, F. J. (2014). Room-temperature vibrational properties of multiferroic MnWO4 under quasi-hydrostatic compression up to 39 GPa. Journal of Applied Physics, 115(4), 043510. doi:10.1063/1.4863236Dai, R. C., Ding, X., Wang, Z. P., & Zhang, Z. M. (2013). Pressure and temperature dependence of Raman scattering of MnWO4. Chemical Physics Letters, 586, 76-80. doi:10.1016/j.cplett.2013.09.035Errandonea, 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.78.054116Ruiz-Fuertes, J., Errandonea, D., López-Moreno, S., González, J., Gomis, O., Vilaplana, R., … Nagornaya, L. L. (2011). High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: Comparison with isomorphic compounds. Physical Review B, 83(21). doi:10.1103/physrevb.83.214112Ruiz-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:10.1063/1.3380848López-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:10.1080/08957950903438481Boehler, R. (2006). New diamond cell for single-crystal x-ray diffraction. Review of Scientific Instruments, 77(11), 115103. doi:10.1063/1.2372734Iliev, M. N., Gospodinov, M. M., & Litvinchuk, A. P. (2009). Raman spectroscopy ofMnWO4. Physical Review B, 80(21). doi:10.1103/physrevb.80.212302Mao, 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/jb091ib05p04673Klotz, 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:10.1088/0022-3727/42/7/075413Dewaele, A., Datchi, F., Loubeyre, P., & Mezouar, M. (2008). High pressure–high temperature equations of state of neon and diamond. Physical Review B, 77(9). doi:10.1103/physrevb.77.094106Hammersley, 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:10.1080/08957959608201408Holland, 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.1997.061.404.07Toby, B. H. (2001). EXPGUI, a graphical user interface forGSAS. Journal of Applied Crystallography, 34(2), 210-213. doi:10.1107/s0021889801002242Le Bail, A. (2005). Whole powder pattern decomposition methods and applications: A retrospection. Powder Diffraction, 20(4), 316-326. doi:10.1154/1.2135315Rothkirch, A., Gatta, G. D., Meyer, M., Merkel, S., Merlini, M., & Liermann, H.-P. (2013). Single-crystal diffraction at the Extreme Conditions beamline P02.2: procedure for collecting and analyzing high-pressure single-crystal data. Journal of Synchrotron Radiation, 20(5), 711-720. doi:10.1107/s0909049513018621Sheldrick, G. M. (2007). A short history ofSHELX. Acta Crystallographica Section A Foundations of Crystallography, 64(1), 112-122. doi:10.1107/s0108767307043930Kroumova, E., Aroyo, M. I., Perez-Mato, J. M., Kirov, A., Capillas, C., Ivantchev, S., & Wondratschek, H. (2003). Bilbao Crystallographic Server : Useful Databases and Tools for Phase-Transition Studies. Phase Transitions, 76(1-2), 155-170. doi:10.1080/0141159031000076110Ruiz-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.81.224115Rocquefelte, X., Schwarz, K., Blaha, P., Kumar, S., & van den Brink, J. (2013). Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide. Nature Communications, 4(1). doi:10.1038/ncomms351

Phase behaviour of Ag2CrO4 under compression: Structural, vibrational, and optical properties

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/jp401524sWe have performed an experimental study of the crystal structure, lattice dynamics, and optical properties of silver chromate (Ag2CrO4) at ambient temperature and high pressures. In particular, the crystal structure, Raman-active phonons, and electronic band gap have been accurately determined. When the initial orthorhombic Pnma Ag2CrO4 structure (phase I) is compressed up to 4.5 GPa, a previously undetected phase (phase II) has been observed with a 0.95% volume collapse. The structure of phase II can be indexed to a similar orthorhombic cell as phase I, and the transition can be considered to be an isostructural transition. This collapse is mainly due to the drastic contraction of the a axis (1.3%). A second phase transition to phase III occurs at 13 GPa to a structure not yet determined. First-principles calculations have been unable to reproduce the isostructural phase transition, but they propose the stabilization of a spinel-type structure at 11 GPa. This phase is not detected in experiments probably because of the presence of kinetic barriers. Experiments and calculations therefore seem to indicate that a new structural and electronic description is required to model the properties of silver chromate.This study was supported by the Spanish government MEC under grants MAT2010-21270-C04-01/03/04 and CTQ2009-14596-C02-01, by the Comunidad de Madrid and European Social Fund (S2009/PPQ1551 4161893), by the MALTA Consolider Ingenio 2010 project (CSD2007-00045), and by the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11). A.M. and P.R.-H. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. J.A.S. acknowledges Juan de la Cierva Fellowship Program for its financial support. Diamond and ALBA Synchrotron Light Sources are acknowledged for provisions of beam time. We also thank Drs. Peral, Popescu, and Fauth for technical support.Santamaría Pérez, D.; Bandiello, E.; Errandonea, D.; Ruiz-Fuertes, J.; Gomis Hilario, O.; Sans, JÁ.; Manjón Herrera, FJ.... (2013). Phase behaviour of Ag2CrO4 under compression: Structural, vibrational, and optical properties. Journal of Physical Chemistry C. 117(23):12239-12248. https://doi.org/10.1021/jp401524sS12239122481172

Compressibility systematics of calcite-type borates : An experimental and theoretical structural study on ABO3 (A = Al, Sc, Fe and In)

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C , copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/jp4124259The structural properties of calcite-type orthoborates ABO(3) (A = Al, Fe, Sc, and In) have been investigated at high pressures up to 32 GPa. They were studied experimentally using synchrotron powder X-ray diffraction and theoretically by means of ab initio total-energy calculations. We found that the calcite-type structure remains stable up to the highest pressure explored in the four studied compounds. Experimental and calculated static geometries (unit-cell parameters and internal coordinates), bulk moduli, and their pressure derivatives are in good agreement. The compressibility along the c axis is roughly three times that along the a axis. Our data clearly indicate that the compressibility of borates is dominated by that of the [AO(6)] octahedral group and depends on the size of the trivalent A cations. An analysis of the relationship between isomorphic borates and carbonates is also presented, which points to the potentiality of considering borates as chemical analogues of the carbonate mineral family.This study was supported by the Spanish government MEC under Grant Nos.: MAT2010-21270-C04-01/03/04 and CTQ2009-14596-C02-01, by MALTA Consolider Ingenio 2010 Project (CSD2007-00045), by Generalitat Valenciana (GVA-ACOMP-2013-1012), and by the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11). We thank ALBA and Diamond synchrotrons for providing beamtime for the XRD experiments. A.M. and P.R-H. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. J.A.S. and B.G.-D. acknowledge Juan de la Cierva fellowship and FPI programs for financial support. We are gratefully indebted to Dr. Capponi and Dr. Diehl for supplying us single crystals of AlBO3 and FeBO3, respectively.Santamaría Pérez, D.; Gomis Hilario, O.; Sans, JÁ.; Ortiz, HM.; Vegas, Á.; Errandonea, D.; Ruiz-Fuertes, J.... (2014). Compressibility systematics of calcite-type borates : An experimental and theoretical structural study on ABO3 (A = Al, Sc, Fe and In). Journal of Physical Chemistry C. 118(8):4354-4361. https://doi.org/10.1021/jp4124259S43544361118

CIBERER : Spanish national network for research on rare diseases: A highly productive collaborative initiative

Altres ajuts: Instituto de Salud Carlos III (ISCIII); Ministerio de Ciencia e Innovación.CIBER (Center for Biomedical Network Research; Centro de Investigación Biomédica En Red) is a public national consortium created in 2006 under the umbrella of the Spanish National Institute of Health Carlos III (ISCIII). This innovative research structure comprises 11 different specific areas dedicated to the main public health priorities in the National Health System. CIBERER, the thematic area of CIBER focused on rare diseases (RDs) currently consists of 75 research groups belonging to universities, research centers, and hospitals of the entire country. CIBERER's mission is to be a center prioritizing and favoring collaboration and cooperation between biomedical and clinical research groups, with special emphasis on the aspects of genetic, molecular, biochemical, and cellular research of RDs. This research is the basis for providing new tools for the diagnosis and therapy of low-prevalence diseases, in line with the International Rare Diseases Research Consortium (IRDiRC) objectives, thus favoring translational research between the scientific environment of the laboratory and the clinical setting of health centers. In this article, we intend to review CIBERER's 15-year journey and summarize the main results obtained in terms of internationalization, scientific production, contributions toward the discovery of new therapies and novel genes associated to diseases, cooperation with patients' associations and many other topics related to RD research

Goodbye Hartmann trial: a prospective, international, multicenter, observational study on the current use of a surgical procedure developed a century ago

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Es un curso que ha de conducir al estudiante a lo largo de una nueva experiencia de trabajo del psicólogo en las organizaciones, materia en las que se romperán algunos mitos sobre el real trabajo en este campo; revisará cómo las personas se involucran en las organizaciones, con ellas y con las personas y grupos, y cómo trabajan para alcanzar sus objetivos, bienestar y productividad. El estudiante comprobará y vivirá la experiencia de seleccionar y evaluar personas y determinar sus comportamientos, sus procesos de construcción de valor, de desarrollo y de manejo del estrés. El estudiante trasuntará el mundo empresarial y de las organizaciones, para concebirlo no sólo como un conjunto de procesos productivos o de generación de productos y servicios, sino de realización de sueños, de reinvención, de expectativas de futuro, un lugar donde las personas se reúnen en torno a objetivos y metas comunes

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