44 research outputs found

    Opportunities to accelerate extracellular vesicle research with cell-free synthetic biology

    Get PDF
    Extracellular vesicles (EVs) are lipid-membrane nanoparticles that are shed or secreted by many different cell types. The extracellular vesicle (EV) research community has rapidly expanded in recent years and are leading efforts to deepen our understanding of EV biological functions in human physiology and pathology. These insights are also providing a foundation on which future EV-based diagnostics and therapeutics are poised to positively impact human health. However, current limitations in our understanding of EV heterogeneity, cargo loading mechanisms and the nascent development of EV metrology are all areas that have been identified as important scientific challenges. The field of synthetic biology is also contending with the challenge of understanding biological complexity as it seeks to combine multidisciplinary scientific knowledge with engineering principles, to build useful and robust biotechnologies in a responsible manner. Within this context, cell-free systems have emerged as a powerful suite of in vitro biotechnologies that can be employed to interrogate fundamental biological mechanisms, including the study of aspects of EV biogenesis, or to act as a platform technology for medical biosensors and therapeutic biomanufacturing. Cell-free gene expression (CFE) systems also enable in vitro protein production, including membrane proteins, and could conceivably be exploited to rationally engineer, or manufacture, EVs loaded with bespoke molecular cargoes for use in foundational or translational EV research. Our pilot data herein, also demonstrates the feasibility of cell-free EV engineering. In this perspective we discuss the opportunities and challenges for accelerating EV research and healthcare applications with cell-free synthetic biology

    High-pressure characterization of multifunctional CrVO4

    Full text link
    [EN] The structural stability and physical properties of CrVO(4)under compression were studied by x-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, andab initiocalculations up to 10 GPa. High-pressure x-ray diffraction and Raman measurements show that CrVO(4)undergoes a phase transition from the ambient pressure orthorhombic CrVO4-type structure (Cmcm space group, phase III) to the high-pressure monoclinic CrVO4-V phase, which is proposed to be isomorphic to the wolframite structure. Such a phase transition (CrVO4-type -> wolframite), driven by pressure, also was previously observed in indium vanadate. The crystal structure of both phases and the pressure dependence in unit-cell parameters, Raman-active modes, resistivity, and electronic band gap, are reported. Vanadium atoms are sixth-fold coordinated in the wolframite phase, which is related to the collapse in the volume at the phase transition. Besides, we also observed drastic changes in the phonon spectrum, a drop of the band-gap, and a sharp decrease of resistivity. All the observed phenomena are explained with the help of first-principles calculations.This work was supported by the Spanish Ministry of Science, Innovation and Universities under Grants MAT2016-75586-C4-1/2-P, FIS2017-83295-P and RED2018-102612-T (MALTA Consolider-Team network) and by Generalitat Valenciana under Grant Prometeo/2018/123 (EFIMAT). PB and AV acknowledge the Kempe Foundation and the Knut och Alice Wallenberg Foundation for their financial support. JAS also acknowledges Ramon y Cajal program for funding support through RYC-2015-17482. The x-ray diffraction measurements were carried out with the support of the Diamond Light Source at the I15 beamline under proposal no. 683. The authors thank A Kleppe for technical support during the experiments. SL-M thanks CONACYT of Mexico for financial support through the program 'Catedras para jovenes Investigadores'. Also, SL-M gratefully acknowledges the computing time granted by LANCAD and CONACYT on the supercomputer Miztli at LSVP DGTIC UNAM. Besides, some of the computing for this project was performed with the resources of the IPICYT Supercomputing National Center for Education & Research, Grant TKII-R2020-SLM1.Botella, P.; López-Moreno, S.; Errandonea, D.; Manjón, F.; Sans-Tresserras, JÁ.; Vie, D.; Vomiero, A. (2020). High-pressure characterization of multifunctional CrVO4. Journal of Physics Condensed Matter. 32(38):1-14. https://doi.org/10.1088/1361-648X/ab9408S114323

    PHM19 USING THE EQ-5DTO MONITOR HEALTH-RELATED QUALITY OF LIFE OVERTIME IN THE CATALAN HEALTH INTERVIEW SURVEY

    Get PDF

    X-ray nanoimaging of Nd3+ optically active ions embedded in Sr0.5Ba0.5Nb2O6 nanocrystals

    Full text link
    [EN] The spatial distribution of Sr0.5Ba0.5Nb2O6 nanocrystals is analyzed in a borate-based glass-ceramic by a synchrotron hard X-ray nanoimaging tool. Based on X-ray excited optical luminescence, we examined 2D projections of the Nd3+ optically active ions in the Sr0.5Ba0.5Nb2O6 nanocrystals, as well as in the glassy phase where they are embedded. Our findings reveal areas of agglomerations and/or clusters of nanocrystals ascribed to the diffusion coefficients of their constituent elements. They are characterized by high Nd3+ concentrations that may act as heterogeneous agents for the nucleation and growth of these nanocrystals. (C) 2017 Optical Society of AmericaMINECO, EU-FEDER and CSIC through the projects MAT2013-46649-C4-4-P, MAT201571070-REDC, MAT2016-75586-C4-2-P, MAT2016-75586-C4-4-P, 201550I021 and 201660I001, respectively. JAS acknowledges the Spanish Program Ramón y Cajal for his fellowship. We also thank the ESRF for the beam time allocated and experimental facilities.Martínez-Criado, G.; Alén, B.; Sans-Tresserras, JÁ.; Lozano-Gorrín, A.; Haro-González, P.; Martin, I.; Lavin, V. (2017). X-ray nanoimaging of Nd3+ optically active ions embedded in Sr0.5Ba0.5Nb2O6 nanocrystals. Optical Materials Express. 7(7):2424-2431. https://doi.org/10.1364/OME.7.002424S2424243177Nagata, K., Yamamoto, Y., Igarashi, H., & Okazaki, K. (1981). Properties of the hot-pressed strontium barium niobate ceramics. Ferroelectrics, 38(1), 853-856. doi:10.1080/00150198108209556Imai, T., Yagi, S., Yamazaki, H., & Ono, M. (1999). Effects of Heat Treatment on Photorefractive Sensitivity of Ce- and Eu-Doped Strontium Barium Niobate. Japanese Journal of Applied Physics, 38(Part 1, No. 4A), 1984-1988. doi:10.1143/jjap.38.1984Volk, T., Isakov, D., Salobutin, V., Ivleva, L., Lykov, P., Ramzaev, V., & Wöhlecke, M. (2004). Effects of Ni doping on properties of strontium–barium–niobate crystals. Solid State Communications, 130(3-4), 223-226. doi:10.1016/j.ssc.2004.01.039Romero, J. J., Andreeta, M. R. B., Andreeta, E. R. M., Bausá, L. E., Hernandes, A. C., & García Solé, J. (2004). Growth and characterization of Nd-doped SBN single crystal fibers. Applied Physics A, 78(7), 1037-1042. doi:10.1007/s00339-003-2151-3Chayapiwut, N., Honma, T., Benino, Y., Fujiwara, T., & Komatsu, T. (2005). Synthesis of Sm3+-doped strontium barium niobate crystals in glass by samarium atom heat processing. Journal of Solid State Chemistry, 178(11), 3507-3513. doi:10.1016/j.jssc.2005.09.002Haro-González, P., Martín, I. R., Martín, L. L., León-Luis, S. F., Pérez-Rodríguez, C., & Lavín, V. (2011). Characterization of Er3+ and Nd3+ doped Strontium Barium Niobate glass ceramic as temperature sensors. Optical Materials, 33(5), 742-745. doi:10.1016/j.optmat.2010.11.026Ivleva, L. I., Volk, T. R., Isakov, D. V., Gladkii, V. V., Polozkov, N. M., & Lykov, P. A. (2002). Growth and ferroelectric properties of Nd-doped strontium–barium niobate crystals. Journal of Crystal Growth, 237-239, 700-702. doi:10.1016/s0022-0248(01)01997-2Marcinkevičius, A., Juodkazis, S., Watanabe, M., Miwa, M., Matsuo, S., Misawa, H., & Nishii, J. (2001). Femtosecond laser-assisted three-dimensional microfabrication in silica. Optics Letters, 26(5), 277. doi:10.1364/ol.26.000277Sato, R., Benino, Y., Fujiwara, T., & Komatsu, T. (2001). YAG laser-induced crystalline dot patterning in samarium tellurite glasses. Journal of Non-Crystalline Solids, 289(1-3), 228-232. doi:10.1016/s0022-3093(01)00736-0Haro-González, P., Martín, L. L., González-Pérez, S., & Martín, I. R. (2010). Formation of Nd3+ doped Strontium Barium Niobate nanocrystals by two different methods. Optical Materials, 32(10), 1389-1392. doi:10.1016/j.optmat.2010.03.011Haro-González, P., Martín, I. R., & Creus, A. H. (2010). Nanocrystals distribution inside the writing lines in a glass matrix using Argon laser irradiation. Optics Express, 18(2), 582. doi:10.1364/oe.18.000582Haro-González, P., Martín, I. R., Arbelo-Jorge, E., González-Pérez, S., Cáceres, J. M., & Núñez, P. (2008). Laser irradiation in Nd3+ doped strontium barium niobate glass. Journal of Applied Physics, 104(1), 013112. doi:10.1063/1.2952011Kowalska, D., Haro-González, P., Martín, I. R., & Cáceres, J. M. (2010). Analysis of the optical properties of Er3+-doped strontium barium niobate nanocrystals using time-resolved laser spectroscopy. Applied Physics A, 99(4), 771-776. doi:10.1007/s00339-010-5716-yPellicer-Porres, J., Segura, A., Martínez-Criado, G., Rodríguez-Mendoza, U. R., & Lavín, V. (2012). Formation of nanostructures in Eu3+doped glass–ceramics: an XAS study. Journal of Physics: Condensed Matter, 25(2), 025303. doi:10.1088/0953-8984/25/2/025303Martínez-Criado, G., Alén, B., Sans, J. A., Homs, A., Kieffer, I., Tucoulou, R., … Yi, G. (2012). Spatially resolved X-ray excited optical luminescence. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 284, 36-39. doi:10.1016/j.nimb.2011.08.013Martínez-Criado, G., Sans, J. A., Segura-Ruiz, J., Tucoulou, R., Solé, A. V., Homs, A., … Alén, B. (2011). X-ray excited optical luminescence imaging of InGaN nano-LEDs. physica status solidi (c), 9(3-4), 628-630. doi:10.1002/pssc.201100430Villanova, J., Segura-Ruiz, J., Lafford, T., & Martinez-Criado, G. (2012). Synchrotron microanalysis techniques applied to potential photovoltaic materials. Journal of Synchrotron Radiation, 19(4), 521-524. doi:10.1107/s0909049512021383Smith, J., Akbari-Sharbaf, A., Ward, M. J., Murphy, M. W., Fanchini, G., & Kong Sham, T. (2013). Luminescence properties of defects in nanocrystalline ZnO. Journal of Applied Physics, 113(9), 093104. doi:10.1063/1.4794001Armelao, L., Heigl, F., Jürgensen, A., Blyth, R. I. R., Regier, T., Zhou, X.-T., & Sham, T. K. (2007). X-ray Excited Optical Luminescence Studies of ZnO and Eu-Doped ZnO Nanostructures. The Journal of Physical Chemistry C, 111(28), 10194-10200. doi:10.1021/jp071379fMartínez-Criado, G., Villanova, J., Tucoulou, R., Salomon, D., Suuronen, J.-P., Labouré, S., … Morse, J. (2016). ID16B: a hard X-ray nanoprobe beamline at the ESRF for nano-analysis. Journal of Synchrotron Radiation, 23(1), 344-352. doi:10.1107/s1600577515019839Jamieson, P. B., Abrahams, S. C., & Bernstein, J. L. (1968). Ferroelectric Tungsten Bronze‐Type Crystal Structures. I. Barium Strontium Niobate Ba0.27Sr0.75Nb2O5.78. The Journal of Chemical Physics, 48(11), 5048-5057. doi:10.1063/1.1668176Haro-González, P., Martín, I. R., & Hernández Creus, A. (2011). Nanocrystals formation on Ho3+ doped strontium barium niobate glass. Journal of Luminescence, 131(4), 657-661. doi:10.1016/j.jlumin.2010.11.011Lavı́n, V., Rodrı́guez-Mendoza, U. R., Martı́n, I. R., & Rodrı́guez, V. D. (2003). Optical spectroscopy analysis of the Eu3+ ions local structure in calcium diborate glasses. Journal of Non-Crystalline Solids, 319(1-2), 200-216. doi:10.1016/s0022-3093(02)01914-2Chernaya, T. S., Volk, T. R., Verin, I. A., Ivleva, L. I., & Simonov, V. I. (2002). Atomic structure of (Sr0.50Ba0.50)Nb2O6 single crystals in the series of (SrxBa1 − x )Nb2O6 compounds. Crystallography Reports, 47(2), 213-216. doi:10.1134/1.1466494Erbil, A., Cargill III, G. S., Frahm, R., & Boehme, R. F. (1988). Total-electron-yield current measurements for near-surface extended x-ray-absorption fine structure. Physical Review B, 37(5), 2450-2464. doi:10.1103/physrevb.37.2450Solé, V. A., Papillon, E., Cotte, M., Walter, P., & Susini, J. (2007). A multiplatform code for the analysis of energy-dispersive X-ray fluorescence spectra. Spectrochimica Acta Part B: Atomic Spectroscopy, 62(1), 63-68. doi:10.1016/j.sab.2006.12.002Martínez-Criado, G., Homs, A., Alén, B., Sans, J. A., Segura-Ruiz, J., Molina-Sánchez, A., … Yi, G.-C. (2012). Probing Quantum Confinement within Single Core–Multishell Nanowires. Nano Letters, 12(11), 5829-5834. doi:10.1021/nl303178uMartínez-Criado, G., Segura-Ruiz, J., Alén, B., Eymery, J., Rogalev, A., Tucoulou, R., & Homs, A. (2014). Exploring Single Semiconductor Nanowires with a Multimodal Hard X-ray Nanoprobe. Advanced Materials, 26(46), 7873-7879. doi:10.1002/adma.201304345Shyu, J.-J., & Wang, J.-R. (2000). Crystallization and Dielectric Properties of SrO-BaO-Nb2O5-SiO2Tungsten-Bronze Glass-Ceramics. Journal of the American Ceramic Society, 83(12), 3135-3140. doi:10.1111/j.1151-2916.2000.tb01694.

    Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides

    Get PDF
    [EN] We report a joint experimental and theoretical investigation of the high pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder X-ray diffraction and Raman scattering measurements show that cubic Ia (3 ) over bar (C-type) Tb2O3 undergoes two phase transitions up to 25 GPa. We observe a first irreversible reconstructive transition to the monoclinic C2/m (B-type) phase at similar to 7 GPa and a subsequent reversible displacive transition from the monoclinic to the trigonal P (3) over bar m1 (A-type) phase at similar to I-2 GPa. Thus, Tb2O3 is found to follow the well- known C -> B -> A phase transition sequence found in other cubic rare earth sesquioxides with cations of larger atomic mass than Tb. Our ab initio theoretical calculations predict phase transition pressures and bulk moduli for the three phases in rather good agreement with experimental results. Moreover, Raman-active modes of the three phases have been monitored as a function of pressure, while lattice-dynamics calculations have allowed us to confirm the assignment of the experimental phonon modes in the C- and A-type phases as well as to make a tentative assignment of the symmetry of most vibrational modes in the B-type phase. Finally, we extract the bulk moduli and the Raman-active mode frequencies together with their pressure coefficients for the three phases of Tb2O3 . These results are thoroughly compared and discussed in relation to those reported for rare earth and other related sesquioxides as well as with new calculations for selected sesquioxides. It is concluded that the evolution of the volume and bulk modulus of all the three phases of these technologically relevant compounds exhibit a nearly linear trend with respect to the third power of the ionic radii of the cations and that the values of the bulk moduli for the three phases depend on the filling of the f orbitals.The authors are thankful for the financial support of Generalitat Valenciana under Project PROMETEO 2018/123-EFIMAT and of the Spanish Ministerio de Economia y Competitividad under Projects MAT2015-71035-R, MAT2016-75586-C4-2/3/4-P, and FIS2017-2017-83295-P as well as MALTA Consolider Team research network under project RED2018-102612-T. J.A.S. also acknowledges the Ramon y Cajal program for funding support through RYC-2015-17482. A.M. and P.R.-H. acknowledge computing time provided by Red Española de Supercomputación (RES) and the MALTA Consolider Team cluster. HP-XRD experiments were performed at MPSD beamline of Alba Synchrotron (experiment no. 2016071772). We would like to thank Oriol Blázquez (Universitat de Barcelona) for his contribution to the Raman measurements.Ibañez, J.; Sans-Tresserras, JÁ.; Cuenca-Gotor, VP.; Oliva, R.; Gomis, O.; Rodríguez-Hernández, P.; Muñoz, A.... (2020). Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides. Inorganic Chemistry. 59(14):9648-9666. https://doi.org/10.1021/acs.inorgchem.0c00834S964896665914Pan, T.-M., Chen, F.-H., & Jung, J.-S. (2010). Structural and electrical characteristics of high-k Tb2O3 and Tb2TiO5 charge trapping layers for nonvolatile memory applications. Journal of Applied Physics, 108(7), 074501. doi:10.1063/1.3490179Kao, C. H., Liu, K. C., Lee, M. H., Cheng, S. N., Huang, C. H., & Lin, W. K. (2012). High dielectric constant terbium oxide (Tb2O3) dielectric deposited on strained-Si:C. Thin Solid Films, 520(8), 3402-3405. doi:10.1016/j.tsf.2011.10.173Gray, N. W., Prestgard, M. C., & Tiwari, A. (2014). Tb2O3 thin films: An alternative candidate for high-k dielectric applications. Applied Physics Letters, 105(22), 222903. doi:10.1063/1.4903072Geppert, I., Eizenberg, M., Bojarczuk, N. A., Edge, L. F., Copel, M., & Guha, S. (2010). Determination of band offsets, chemical bonding, and microstructure of the (TbxSc1−x)2O3/Si system. Journal of Applied Physics, 108(2), 024105. doi:10.1063/1.3427554Belaya, S. V., Bakovets, V. V., Boronin, A. I., Koshcheev, S. V., Lobzareva, M. N., Korolkov, I. V., & Stabnikov, P. A. (2014). Terbium oxide films grown by chemical vapor deposition from terbium(III) dipivaloylmethanate. Inorganic Materials, 50(4), 379-386. doi:10.1134/s0020168514040037Bakovets, V. V., Belaya, S. V., Lobzareva, M. N., & Maksimovskii, E. A. (2014). Kinetics of terbium oxide film growth from Tb(dpm)3 vapor. Inorganic Materials, 50(6), 576-581. doi:10.1134/s0020168514060016ZINKEVICH, M. (2007). Thermodynamics of rare earth sesquioxides. Progress in Materials Science, 52(4), 597-647. doi:10.1016/j.pmatsci.2006.09.002Warshaw, I., & Roy, R. (1961). POLYMORPHISM OF THE RARE EARTH SESQUIOXIDES1. The Journal of Physical Chemistry, 65(11), 2048-2051. doi:10.1021/j100828a030Brauer, G., & Pfeiffer, B. (1965). Mischphasen aus Praseodym(III)-oxid und Terbium(III)-oxid. Zeitschrift f�r anorganische und allgemeine Chemie, 341(5-6), 237-243. doi:10.1002/zaac.19653410503Shevthenko, A. V., & Lopato, L. M. (1985). DTA method applikation to the highest refractory oxide systems investigation. Thermochimica Acta, 93, 537-540. doi:10.1016/0040-6031(85)85135-2Hoekstra, H. R., & Gingerich, K. A. (1964). High-Pressure B-Type Polymorphs of Some Rare-Earth Sesquioxides. Science, 146(3648), 1163-1164. doi:10.1126/science.146.3648.1163Sawyer, J. O., Hyde, B. G., & Eyring, L. (1965). Pressure and Polymorphism in the Rare Earth Sesquioxides. Inorganic Chemistry, 4(3), 426-427. doi:10.1021/ic50025a043Manjón, F., Sans, J., Ibáñez, J., & Pereira, A. (2019). Pressure-Induced Phase Transitions in Sesquioxides. Crystals, 9(12), 630. doi:10.3390/cryst9120630Jiang, S., Liu, J., Lin, C., Bai, L., Xiao, W., Zhang, Y., … Tang, L. (2010). Pressure-induced phase transition in cubic Lu2O3. Journal of Applied Physics, 108(8), 083541. doi:10.1063/1.3499301Lin, C.-M., Wu, K.-T., Hung, T.-L., Sheu, H.-S., Tsai, M.-H., Lee, J.-F., & Lee, J.-J. (2010). Phase transitions in under high pressure. Solid State Communications, 150(33-34), 1564-1569. doi:10.1016/j.ssc.2010.05.046Meyer, C., Sanchez, J. P., Thomasson, J., & Itié, J. P. (1995). Mössbauer and energy-dispersive x-ray-diffraction studies of the pressure-induced crystallographic phase transition inC-typeYb2O3. Physical Review B, 51(18), 12187-12193. doi:10.1103/physrevb.51.12187Pandey, S. D., Samanta, K., Singh, J., Sharma, N. D., & Bandyopadhyay, A. K. (2013). Anharmonic behavior and structural phase transition in Yb2O3. AIP Advances, 3(12), 122123. doi:10.1063/1.4858421Sahu, P. C., Lonappan, D., & Shekar, N. V. C. (2012). High Pressure Structural Studies on Rare-Earth Sesquioxides. Journal of Physics: Conference Series, 377, 012015. doi:10.1088/1742-6596/377/1/012015Irshad, K. A., Anees, P., Sahoo, S., Sanjay Kumar, N. R., Srihari, V., Kalavathi, S., & Chandra Shekar, N. V. (2018). Pressure induced structural phase transition in rare earth sesquioxide Tm2O3: Experiment and ab initio calculations. Journal of Applied Physics, 124(15), 155901. doi:10.1063/1.5049223Yan, D., Wu, P., Zhang, S. P., Liang, L., Yang, F., Pei, Y. L., & Chen, S. (2013). Assignments of the Raman modes of monoclinic erbium oxide. Journal of Applied Physics, 114(19), 193502. doi:10.1063/1.4831663Ren, X., Yan, X., Yu, Z., Li, W., & Wang, L. (2017). Photoluminescence and phase transition in Er2O3 under high pressure. Journal of Alloys and Compounds, 725, 941-945. doi:10.1016/j.jallcom.2017.07.219Guo, Q., Zhao, Y., Jiang, C., Mao, W. L., Wang, Z., Zhang, J., & Wang, Y. (2007). Pressure-Induced Cubic to Monoclinic Phase Transformation in Erbium Sesquioxide Er2O3. Inorganic Chemistry, 46(15), 6164-6169. doi:10.1021/ic070154gLonappan, D., Shekar, N. V. C., Ravindran, T. R., & Sahu, P. C. (2010). High-pressure phase transition in Ho2O3. Materials Chemistry and Physics, 120(1), 65-67. doi:10.1016/j.matchemphys.2009.10.022Jiang, S., Liu, J., Li, X., Bai, L., Xiao, W., Zhang, Y., … Tang, L. (2011). Phase transformation of Ho2O3at high pressure. Journal of Applied Physics, 110(1), 013526. doi:10.1063/1.3603027Pandey, S. D., Samanta, K., Singh, J., Sharma, N. D., & Bandyopadhyay, A. K. (2014). Raman scattering of rare earth sesquioxide Ho2O3: A pressure and temperature dependent study. Journal of Applied Physics, 116(13), 133504. doi:10.1063/1.4896832Yan, X., Ren, X., He, D., Chen, B., & Yang, W. (2014). Mechanical behaviors and phase transition of Ho2O3nanocrystals under high pressure. Journal of Applied Physics, 116(3), 033507. doi:10.1063/1.4890341Sharma, N. D., Singh, J., Dogra, S., Varandani, D., Poswal, H. K., Sharma, S. M., & Bandyopadhyay, A. K. (2011). Pressure-induced anomalous phase transformation in nano-crystalline dysprosium sesquioxide. Journal of Raman Spectroscopy, 42(3), 438-444. doi:10.1002/jrs.2720Jiang, S., Liu, J., Lin, C., Bai, L., Zhang, Y., Li, X., … Wang, H. (2013). Structural transformations in cubic Dy2O3 at high pressures. Solid State Communications, 169, 37-41. doi:10.1016/j.ssc.2013.06.027Chen, H., He, C., Gao, C., Ma, Y., Zhang, J., Wang, X., … Zou, G. (2007). The structural transition of Gd2O3nanoparticles induced by high pressure. Journal of Physics: Condensed Matter, 19(42), 425229. doi:10.1088/0953-8984/19/42/425229Hai-Yong, C., Chun-Yuan, H., Chun-Xiao, G., Jia-Hua, Z., Shi-Yong, G., Hong-Liang, L., … Guang-Tian, Z. (2007). Structural Transition of Gd 2 O 3  :Eu Induced by High Pressure. Chinese Physics Letters, 24(1), 158-160. doi:10.1088/0256-307x/24/1/043Zhang, F. X., Lang, M., Wang, J. W., Becker, U., & Ewing, R. C. (2008). Structural phase transitions of cubicGd2O3at high pressures. Physical Review B, 78(6). doi:10.1103/physrevb.78.064114Dilawar, N., Varandani, D., Mehrotra, S., Poswal, H. K., Sharma, S. M., & Bandyopadhyay, A. K. (2008). Anomalous high pressure behaviour in nanosized rare earth sesquioxides. Nanotechnology, 19(11), 115703. doi:10.1088/0957-4484/19/11/115703Bai, L., Liu, J., Li, X., Jiang, S., Xiao, W., Li, Y., … Zhang, D. (2009). Pressure-induced phase transformations in cubic Gd2O3. Journal of Applied Physics, 106(7), 073507. doi:10.1063/1.3236580Zou, X., Gong, C., Liu, B., Li, Q., Li, Z., Liu, B., … Song, H. (2011). X-ray diffraction of cubic Gd2 O3 /Er under high pressure. physica status solidi (b), 248(5), 1123-1127. doi:10.1002/pssb.201000706Zhang, C. C., Zhang, Z. M., Dai, R. C., Wang, Z. P., & Ding, Z. J. (2011). High Pressure Luminescence and Raman Studies on the Phase Transition of Gd2O3:Eu3+ Nanorods. Journal of Nanoscience and Nanotechnology, 11(11), 9887-9891. doi:10.1166/jnn.2011.5228Yang, X., Li, Q., Liu, Z., Bai, X., Song, H., Yao, M., … Liu, B. (2013). Pressure-Induced Amorphization in Gd2O3/Er3+ Nanorods. The Journal of Physical Chemistry C, 117(16), 8503-8508. doi:10.1021/jp312705uChen, G., Haire, R. G., & Peterson, J. R. (1991). Effect of pressure on cubic (C-type) Eu2O3studied via Eu3+luminescence. High Pressure Research, 6(6), 371-377. doi:10.1080/08957959208201045Chen, G., Stump, N. ., Haire, R. ., & Peterson, J. . (1992). Study of the phase behavior of Eu2O3 under pressure via luminescence of Eu3+. Journal of Alloys and Compounds, 181(1-2), 503-509. doi:10.1016/0925-8388(92)90347-cDilawar, N., Varandani, D., Pandey, V. P., Kumar, M., Shivaprasad, S. M., Sharma, P. K., & Bandyopadhyay, A. K. (2006). Structural Transition in Nanostructured Eu2O3 Under High Pressures. Journal of Nanoscience and Nanotechnology, 6(1), 105-113. doi:10.1166/jnn.2006.17913Sheng, J., Li-Gang, B., Jing, L., Wan-Sheng, X., Xiao-Dong, L., Yan-Chun, L., … Li-Rong, Z. (2009). The Phase Transition of Eu 2 O 3 under High Pressures. Chinese Physics Letters, 26(7), 076101. doi:10.1088/0256-307x/26/7/076101Irshad, K. A., Chandra Shekar, N. V., Srihari, V., Pandey, K. K., & Kalavathi, S. (2017). High pressure structural phase transitions in Ho: Eu2O3. Journal of Alloys and Compounds, 725, 911-915. doi:10.1016/j.jallcom.2017.07.224Yu, Z., Wang, Q., Ma, Y., & Wang, L. (2017). X-ray diffraction and spectroscopy study of nano-Eu2O3 structural transformation under high pressure. Journal of Alloys and Compounds, 701, 542-548. doi:10.1016/j.jallcom.2017.01.143Guo, Q., Zhao, Y., Jiang, C., Mao, W. L., & Wang, Z. (2008). Phase transformation in Sm2O3 at high pressure: In situ synchrotron X-ray diffraction study and ab initio DFT calculation. Solid State Communications, 145(5-6), 250-254. doi:10.1016/j.ssc.2007.11.019Jiang, S., Liu, J., Lin, C., Li, X., & Li, Y. (2013). High-pressure x-ray diffraction and Raman spectroscopy of phase transitions in Sm2O3. Journal of Applied Physics, 113(11), 113502. doi:10.1063/1.4795504Liu, D., Lei, W., Li, Y., Ma, Y., Hao, J., Chen, X., … Zou, G. (2009). High-Pressure Structural Transitions of Sc2O3by X-ray Diffraction, Raman Spectra, and Ab Initio Calculations. Inorganic Chemistry, 48(17), 8251-8256. doi:10.1021/ic900889vYusa, H., Tsuchiya, T., Sata, N., & Ohishi, Y. (2009). High-Pressure Phase Transition to the Gd2S3 Structure in Sc2O3: A New Trend in Dense Structures in Sesquioxides. Inorganic Chemistry, 48(16), 7537-7543. doi:10.1021/ic9001253Ovsyannikov, S. V., Bykova, E., Bykov, M., Wenz, M. D., Pakhomova, A. S., Glazyrin, K., … Dubrovinsky, L. (2015). Structural and vibrational properties of single crystals of Scandia, Sc2O3 under high pressure. Journal of Applied Physics, 118(16), 165901. doi:10.1063/1.4933391Husson, E., Proust, C., Gillet, P., & Itié, J. . (1999). Phase transitions in yttrium oxide at high pressure studied by Raman spectroscopy. Materials Research Bulletin, 34(12-13), 2085-2092. doi:10.1016/s0025-5408(99)00205-6Bai, X., Song, H. W., Liu, B. B., Hou, Y. Y., Pan, G. H., & Ren, X. G. (2008). Effects of High Pressure on the Luminescent Properties of Nanocrystalline and Bulk Y2O3:Eu3+. Journal of Nanoscience and Nanotechnology, 8(3), 1404-1409. doi:10.1166/jnn.2008.18204Jovanić, B. R., Dramićanin, M., Viana, B., Panić, B., & Radenković, B. (2008). High-pressure optical studies of Y2O3:Eu3+nanoparticles. Radiation Effects and Defects in Solids, 163(12), 925-931. doi:10.1080/10420150802082705Wang, L., Pan, Y., Ding, Y., Yang, W., Mao, W. L., Sinogeikin, S. V., … Mao, H. (2009). High-pressure induced phase transitions of Y2O3 and Y2O3:Eu3+. Applied Physics Letters, 94(6), 061921. doi:10.1063/1.3082082Wang, L., Yang, W., Ding, Y., Ren, Y., Xiao, S., Liu, B., … Mao, H. (2010). Size-Dependent Amorphization of NanoscaleY2O3at High Pressure. Physical Review Letters, 105(9). doi:10.1103/physrevlett.105.095701Halevy, I., Carmon, R., Winterrose, M. L., Yeheskel, O., Tiferet, E., & Ghose, S. (2010). Pressure-induced structural phase transitions in Y2O3sesquioxide. Journal of Physics: Conference Series, 215, 012003. doi:10.1088/1742-6596/215/1/012003Dai, R. C., Zhang, Z. M., Zhang, C. C., & Ding, Z. J. (2010). Photoluminescence and Raman Studies of Y2O3:Eu3+ Nanotubes Under High Pressure. Journal of Nanoscience and Nanotechnology, 10(11), 7629-7633. doi:10.1166/jnn.2010.2752DAI, R., WANG, Z., ZHANG, Z., & DING, Z. (2010). Photoluminescence study of SiO2 coated Eu3+:Y2O3 core-shells under high pressure. Journal of Rare Earths, 28, 241-245. doi:10.1016/s1002-0721(10)60275-xYusa, H., Tsuchiya, T., Sata, N., & Ohishi, Y. (2010). Dense Yttria Phase Eclipsing the A-Type Sesquioxide Structure: High-Pressure Experiments and ab initio Calculations. Inorganic Chemistry, 49(10), 4478-4485. doi:10.1021/ic100042zBose, P. P., Gupta, M. K., Mittal, R., Rols, S., Achary, S. N., Tyagi, A. K., & Chaplot, S. L. (2012). High Pressure Phase Transitions in Yttria, Y2O3. Journal of Physics: Conference Series, 377, 012036. doi:10.1088/1742-6596/377/1/012036Srivastava, A. M., Renero-Lecuna, C., Santamaría-Pérez, D., Rodríguez, F., & Valiente, R. (2014). Pressure-induced Pr3+ 3P0 luminescence in cubic Y2O3. Journal of Luminescence, 146, 27-32. doi:10.1016/j.jlumin.2013.09.028Yamanaka, T., Nagai, T., Okada, T., & Fukuda, T. (2005). Structure change of Mn2O3under high pressure and pressure-induced transition. Zeitschrift für Kristallographie - Crystalline Materials, 220(11), 938-945. doi:10.1524/zkri.2005.220.11_2005.938Santillán, J., Shim, S.-H., Shen, G., & Prakapenka, V. B. (2006). High-pressure phase transition in Mn2O3: Application for the crystal structure and preferred orientation of the CaIrO3type. Geophysical Research Letters, 33(15). doi:10.1029/2006gl026423Shim, S.-H., LaBounty, D., & Duffy, T. S. (2011). Raman spectra of bixbyite, Mn2O3, up to 40 GPa. Physics and Chemistry of Minerals, 38(9), 685-691. doi:10.1007/s00269-011-0441-4Hong, F., Yue, B., Hirao, N., Liu, Z., & Chen, B. (2017). Significant improvement in Mn2O3 transition metal oxide electrical conductivity via high pressure. Scientific Reports, 7(1). doi:10.1038/srep44078Yusa, H., Tsuchiya, T., Sata, N., & Ohishi, Y. (2008). Rh2O3(II)-type structures inGa2O3andIn2O3under high pressure: Experiment and theory. Physical Review B, 77(6). doi:10.1103/physrevb.77.064107Liu, D., Lei, W. W., Zou, B., Yu, S. D., Hao, J., Wang, K., … Zou, G. T. (2008). High-pressure x-ray diffraction and Raman spectra study of indium oxide. Journal of Applied Physics, 104(8), 083506. doi:10.1063/1.2999369Qi, J., Liu, J. F., He, Y., Chen, W., & Wang, C. (2011). Compression behavior and phase transition of cubic In2O3 nanocrystals. Journal of Applied Physics, 109(6), 063520. doi:10.1063/1.3561363Garcia-Domene, B., Ortiz, H. M., Gomis, O., Sans, J. A., Manjón, F. J., Muñoz, A., … Tyagi, A. K. (2012). High-pressure lattice dynamical study of bulk and nanocrystalline In2O3. Journal of Applied Physics, 112(12), 123511. doi:10.1063/1.4769747García-Domene, B., Sans, J. A., Gomis, O., Manjón, F. J., Ortiz, H. M., Errandonea, D., … Segura, A. (2014). Pbca-Type In2O3: The High-Pressure Post-Corundum phase at Room Temperature. The Journal of Physical Chemistry C, 118(35), 20545-20552. doi:10.1021/jp5061599Gomis, O., Santamaría-Pérez, D., Ruiz-Fuertes, J., Sans, J. A., Vilaplana, R., Ortiz, H. M., … Mollar, M. (2014). High-pressure structural and elastic properties of Tl2O3. Journal of Applied Physics, 116(13), 133521. doi:10.1063/1.4897241Mcclure, J. P. High Pressure Phase Transistions in the Lanthanide Sesquioxides. Ph.D. Thesis, University of Nevada, Las Vegas, 2009, pp 1–154.Hirosaki, N., Ogata, S., & Kocer, C. (2003). Ab initio calculation of the crystal structure of the lanthanide Ln2O3 sesquioxides. Journal of Alloys and Compounds, 351(1-2), 31-34. doi:10.1016/s0925-8388(02)01043-5Marsella, L., & Fiorentini, V. (2004). Structure and stability of rare-earth and transition-metal oxides. Physical Review B, 69(17). doi:10.1103/physrevb.69.172103Petit, L., Svane, A., Szotek, Z., & Temmerman, W. M. (2005). First-principles study of rare-earth oxides. Physical Review B, 72(20). doi:10.1103/physrevb.72.205118WU, B., ZINKEVICH, M., WANG, C., & ALDINGER, F. (2006). Ab initio energetic study of oxide ceramics with rare-earth elements. Rare Metals, 25(5), 549-555. doi:10.1016/s1001-0521(06)60097-1Singh, N., Saini, S. M., Nautiyal, T., & Auluck, S. (2006). Electronic structure and optical properties of rare earth sesquioxides (R2O3, R=La, Pr, and Nd). Journal of Applied Physics, 100(8), 083525. doi:10.1063/1.2353267Mikami, M., & Nakamura, S. (2006). Electronic structure of rare-earth sesquioxides and oxysulfides. Journal of Alloys and Compounds, 408-412, 687-692. doi:10.1016/j.jallcom.2005.01.068Wu, B., Zinkevich, M., Aldinger, F., Wen, D., & Chen, L. (2007). Ab initio study on structure and phase transition of A- and B-type rare-earth sesquioxides Ln2O3 (Ln=La–Lu, Y, and Sc) based on density function theory. Journal of Solid State Chemistry, 180(11), 3280-3287. doi:10.1016/j.jssc.2007.09.022Rahm, M., & Skorodumova, N. V. (2009). Phase stability of the rare-earth sesquioxides under pressure. Physical Review B, 80(10). doi:10.1103/physrevb.80.104105Jiang, H., Gomez-Abal, R. I., Rinke, P., & Scheffler, M. (2009). Localized and Itinerant States in Lanthanide Oxides United byGW @ LDA+U. Physical Review Letters, 102(12). doi:10.1103/physrevlett.102.126403Gillen, R., Clark, S. J., & Robertson, J. (2013). Nature of the electronic band gap in lanthanide oxides. Physical Review B, 87(12). doi:10.1103/physrevb.87.125116Richard, D., Muñoz, E. L., Rentería, M., Errico, L. A., Svane, A., & Christensen, N. E. (2013). AbinitioLSDA and LSDA+Ustudy of pure and Cd-doped cubic lanthanide sesquioxides. Physical Review B, 88(16). doi:10.1103/physrevb.88.165206Richard, D., Errico, L. A., & Rentería, M. (2016). Structural properties and the pressure-induced C → A phase transition of lanthanide sesquioxides from DFT and DFT + U calculations. Journal of Alloys and Compounds, 664, 580-589. doi:10.1016/j.jallcom.2015.12.236Ogawa, T., Otani, N., Yokoi, T., Fisher, C. A. J., Kuwabara, A., Moriwake, H., … Takata, M. (2018). Density functional study of the phase stability and Raman spectra of Yb2O3, Yb2SiO5 and Yb2Si2O7 under pressure. Physical Chemistry Chemical Physics, 20(24), 16518-16527. doi:10.1039/c8cp02497aPathak, A. K., & Vazhappilly, T. (2018). Ab Initio Study on Structure, Elastic, and Mechanical Properties of Lanthanide Sesquioxides. physica status solidi (b), 255(6), 1700668. doi:10.1002/pssb.201700668Lonappan, D., Chandra Shekar, N. V., Sahu, P. C., Kumar, J., Paul, R., & Paul, P. (2010). Unusually large structural stability of terbium oxide phase under high pressure. Journal of Alloys and Compounds, 490(1-2), 47-49. doi:10.1016/j.jallcom.2009.10.068Veber, P., Velázquez, M., Gadret, G., Rytz, D., Peltz, M., & Decourt, R. (2015). Flux growth at 1230 °C of cubic Tb2O3single crystals and characterization of their optical and magnetic properties. CrystEngComm, 17(3), 492-497. doi:10.1039/c4ce02006eIbáñez,

    Standardized Outcome Measurement for Patients With Coronary Artery Disease: Consensus From the International Consortium for Health Outcomes Measurement (ICHOM)

    Get PDF
    Coronary artery disease (CAD) outcomes consistently improve when they are routinely measured and provided back to physicians and hospitals. The International Consortium for Health Outcomes Measurement (ICHOM) established a Working Group to define a standard set of outcome measures and risk factors of CAD care. Members were drawn from 4 continents and 6 countries. Using a modified Delphi method, the Group defined who should be tracked, what should be measured, and when such measurements should be performed. Thirteen specific outcomes were chosen, including acute complications occurring within 30 days of acute myocardial infarction, coronary artery bypass grafting surgery, or percutaneous coronary intervention; and longitudinal outcomes for up to 5 years for patient‐reported health status (Seattle Angina Questionnaire [SAQ‐7], elements of Rose Dyspnea Score, and Patient Health Questionnaire [PHQ‐2]), cardiovascular hospital admissions, cardiovascular procedures, renal failure, and mortality. Baseline demographic, cardiovascular disease, and comorbidity information is included to improve the interpretability of comparisons

    Structural, vibrational and electronic properties of alpha'-Ga2S3 under compression

    Full text link
    [EN] We report a joint experimental and theoretical study of the low-pressure phase of ¿¿-Ga2S3 under compression. Theoretical ab initio calculations have been compared to X-ray diffraction and Raman scattering measurements under high pressure carried out up to 17.5 and 16.1 GPa, respectively. In addition, we report Raman scattering measurements of ¿¿-Ga2S3 at high temperature that have allowed us to study its anharmonic properties. To understand better the compression of this compound, we have evaluated the topological properties of the electron density, the electron localization function, and the electronic properties as a function of pressure. As a result, we shed light on the role of the Ga¿S bonds, the van der Waals interactions inside the channels of the crystalline structure, and the single and double lone electron pairs of the sulphur atoms in the anisotropic compression of ¿¿-Ga2S3. We found that the structural channels are responsible for the anisotropic properties of ¿¿-Ga2S3 and the A¿(6) phonon, known as the breathing mode and associated with these channels, exhibits the highest anharmonic behaviour. Finally, we report calculations of the electronic band structure of ¿¿-Ga2S3 at different pressures and find a nonlinear pressure behaviour of the direct band gap and a pressure-induced direct-to-indirect band gap crossover that is similar to the behaviour previously reported in other ordered-vacancy compounds, including ß-Ga2Se3. The importance of the single and, more specially, the double lone electron pairs of sulphur in the pressure dependence of the topmost valence band of ¿¿-Ga2S3 is stressed.The authors thank the financial support from the Spanish Research Agency (AEI) under projects MALTA Consolider Team network (RED2018-102612-T) and projects MAT2016-75586-C4-2/3-P, FIS2017-83295-P, PID2019-106383GB-42/43, and PGC2018-097520-A-100, as well as from Generalitat Valenciana under Project PROMETEO/2018/123 (EFIMAT). A. M. and P. R.-H. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster and E. L. D. S. acknowledges Marie Sklodowska-Curie Grant No. 785789-COMEX from the European Union's Horizon 2020 research and innovation program. J. A. S. also wants to thank the Ramon y Cajal fellowship (RYC-2015-17482) for financial support. We also thank the ALBA synchrotron light source for funded experiment 2017022088 at the MSPD-BL04 beamline.Gallego-Parra, S.; Vilaplana Cerda, RI.; Gomis, O.; Lora Da Silva, E.; Otero-De-La-Roza, A.; Rodríguez-Hernández, P.; Muñoz, A.... (2021). Structural, vibrational and electronic properties of alpha'-Ga2S3 under compression. Physical Chemistry Chemical Physics. 23(11):6841-6862. https://doi.org/10.1039/d0cp06417cS68416862231

    Experimental and Theoretical Study of Bi2O2Se Under Compression

    Full text link
    [EN] We report a joint experimental and theoretical study of the structural, vibrational, elastic, optical, and electronic properties of the layered high-mobility semiconductor Bi2O2Se at high pressure. A good agreement between experiments and ab initio calculations is observed for the equation of state, the pressure coefficients of the Raman-active modes and the bandgap of the material. In particular, a detailed description of the vibrational properties is provided. Unlike other Sillen-type compounds which undergo a tetragonal to collapsed tetragonal pressure-induced phase transition at relatively low pressures, Bi2O2Se shows a remarkable structural stability up to 30 GPa; however, our results indicate that this compound exhibits considerable electronic changes around 4 GPa, likely related to the progressive shortening and hardening of the long and weak Bi-Se bonds linking the Bi2O2 and Se atomic layers. Variations of the structural, vibrational, and electronic properties induced by these electronic changes are discussed.This work was supported by Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) under project 201050/2012-9, by Spanish MINECO projects MAT2015-71070-REDC, MAT2016-75586-C4-1/2/3-P and CTQ2015-65207-P and by the Grant Agency of the Czech Republic (GA CR) under project 16-07711S. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. D.S.-P. and J.A.S. acknowledge the "Ramon y Cajal" fellowship program (RYC-2015-17482) and Spanish Mineco Projects (2014-15643 and 2017-83295-P). J.R.-F. acknowledge the "Juan de la Cierva" program (IJCI-2014-20513) for financial support.Pereira, A.; Santamaría Pérez, D.; Ruiz Fuertes, J.; Manjón, F.; Cuenca Gotor, VP.; Vilaplana Cerda, RI.; Gomis, O.... (2018). Experimental and Theoretical Study of Bi2O2Se Under Compression. The Journal of Physical Chemistry C. 122(16):8853-8867. https://doi.org/10.1021/acs.jpcc.8b02194S885388671221

    Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4

    Full text link
    A pressure-induced phase transition, associated with an increase of the coordination number of In and Ta, is detected beyond 13 GPa in InTaO4 by combining synchrotron x-ray diffraction and Raman measurements in a diamond-anvil cell with ab initio calculations. High-pressure optical-absorption measurements were also carried out. The high-pressure phase has a monoclinic structure that shares the same space group with the low-pressure phase (P2/c). The structure of the high-pressure phase can be considered as a slight distortion of an orthorhombic structure described by space group Pcna. The phase transition occurs together with a unit-cell volume collapse and an electronic band-gap collapse observed by experiments and calculations. Additionally, a band crossing is found to occur in the low-pressure phase near 7 GPa. The pressure dependence of all the Raman-active modes is reported for both phases as well as the pressure dependence of unit-cell parameters and the equations of state. Calculations also provide information on infrared-active phonons and bond distances. These findings provide insights into the effects of pressure on the physical properties of InTaO4.This paper was partially supported by the Spanish Ministerio de Economia y Competitividad (MINECO) under Grants No. MAT2013-46649-C04-01/02/03 and No. MAT2015-71070-REDC (MALTA Consolider). The XRD experiments were performed at the MSPD-BL04 beamline at ALBA Synchrotron with the collaboration of ALBA staff. We thank S. Agouram from SC-SIE at Universitat de Valencia for technical support with the transmission electron microscope measurements.Errandonea, D.; Popescu, C.; Garg, A.; Botella, P.; Martinez García, D.; Pellicer Porres, J.; Rodríguez Hernández, P.... (2016). Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4. Physical review B: Condensed matter and materials physics. 93(3):035204-1-035204-12. https://doi.org/10.1103/PhysRevB.93.035204S035204-1035204-12933Niermann, D., Grams, C. P., Schalenbach, M., Becker, P., Bohatý, L., Stein, J., … Hemberger, J. (2014). Domain dynamics in the multiferroic phase ofMnWO4. Physical Review B, 89(13). doi:10.1103/physrevb.89.134412Baum, M., Leist, J., Finger, T., Schmalzl, K., Hiess, A., Regnault, L. P., … Braden, M. (2014). Kinetics of the multiferroic switching inMnWO4. Physical Review B, 89(14). doi:10.1103/physrevb.89.144406Ruiz-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., Segura, A., Rodríguez, F., Errandonea, D., & Sanz-Ortiz, M. N. (2012). Anomalous High-Pressure Jahn-Teller Behavior inCuWO4. Physical Review Letters, 108(16). doi:10.1103/physrevlett.108.166402Lacomba-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.79.094105Goel, P., Gupta, M. K., Mittal, R., Rols, S., Achary, S. N., Tyagi, A. K., & Chaplot, S. L. (2015). Inelastic neutron scattering studies of phonon spectra, and simulations of pressure-induced amorphization in tungstatesAWO4(A=Ba,Sr,Ca, andPb). Physical Review B, 91(9). doi:10.1103/physrevb.91.094304Errandonea, D. (2015). Exploring the properties of MTO4compounds using high-pressure powder x-ray diffraction. Crystal Research and Technology, 50(9-10), 729-736. doi:10.1002/crat.201500010Errandonea, D., Gracia, L., Lacomba-Perales, R., Polian, A., & Chervin, J. C. (2013). Compression of scheelite-type SrMoO4 under quasi-hydrostatic conditions: Redefining the high-pressure structural sequence. Journal of Applied Physics, 113(12), 123510. doi:10.1063/1.4798374Coelho, M. N., Freire, P. T. C., Maczka, M., Luz-Lima, C., Saraiva, G. D., Paraguassu, W., … Pizani, P. S. (2013). High-pressure Raman scattering of MgMoO4. Vibrational Spectroscopy, 68, 34-39. doi:10.1016/j.vibspec.2013.05.007Errandonea, D., Santamaria-Perez, D., Grover, V., Achary, S. N., & Tyagi, A. K. (2010). High-pressure x-ray diffraction study of bulk and nanocrystalline PbMoO4. Journal of Applied Physics, 108(7), 073518. doi:10.1063/1.3493048Errandonea, 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.72.174106Errandonea, 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.2008.02.001Zhang, Y., Holzwarth, N. A. W., & Williams, R. T. (1998). Electronic band structures of the scheelite materialsCaMoO4,CaWO4,PbMoO4,andPbWO4. Physical Review B, 57(20), 12738-12750. doi:10.1103/physrevb.57.12738Annenkov, A. ., Korzhik, M. ., & Lecoq, P. (2002). Lead tungstate scintillation material. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 490(1-2), 30-50. doi:10.1016/s0168-9002(02)00916-6Nikl, M., Bohacek, P., Mihokova, E., Solovieva, N., Vedda, A., Martini, M., … Ishii, M. (2002). Enhanced efficiency of PbWO4:Mo,Nb scintillator. Journal of Applied Physics, 91(8), 5041-5044. doi:10.1063/1.1462420Brenier, A., Jia, G., & Tu, C. (2004). Raman lasers at 1.171 and 1.517 μm with self-frequency conversion in SrWO4:Nd3+ crystal. Journal of Physics: Condensed Matter, 16(49), 9103-9108. doi:10.1088/0953-8984/16/49/025Ablett, J. M., Rueff, J.-P., Shieh, S. R., Kao, C. C., & Wang, S. (2015). Possible evidence for high-pressure induced charge transfer in thallium rhenium oxide at room temperature. Physical Review B, 92(1). doi:10.1103/physrevb.92.014113Feng, J., Shian, S., Xiao, B., & Clarke, D. R. (2014). First-principles calculations of the high-temperature phase transformation in yttrium tantalate. Physical Review B, 90(9). doi:10.1103/physrevb.90.094102Malingowski, A. C., Stephens, P. W., Huq, A., Huang, Q., Khalid, S., & Khalifah, P. G. (2012). Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4and Its Implications for Water Splitting Activity in the Wolframite Structure Type. Inorganic Chemistry, 51(11), 6096-6103. doi:10.1021/ic202715cZou, Z., Ye, J., Sayama, K., & Arakawa, H. (2001). Direct splitting of water under visible light irradiation with an oxide semiconductor photocatalyst. Nature, 414(6864), 625-627. doi:10.1038/414625aLiebertz, J. (1972). Gitterkonstanten von InNbO4 und InTaO4. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 28(10), 3100-3100. doi:10.1107/s0567740872007502Ruiz-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:10.1063/1.3380848Keeling, R. O. (1957). The structure of NiWO4. Acta Crystallographica, 10(3), 209-213. doi:10.1107/s0365110x57000651Li, G.-L., & Yin, Z. (2011). Theoretical insight into the electronic, optical and photocatalytic properties of InMO4(M = V, Nb, Ta) photocatalysts. Phys. Chem. Chem. Phys., 13(7), 2824-2833. doi:10.1039/b921143hYe, J., Zou, Z., Arakawa, H., Oshikiri, M., Shimoda, M., Matsushita, A., & Shishido, T. (2002). Correlation of crystal and electronic structures with photophysical properties of water splitting photocatalysts InMO4 (M=V5+,Nb5+,Ta5+). Journal of Photochemistry and Photobiology A: Chemistry, 148(1-3), 79-83. doi:10.1016/s1010-6030(02)00074-6Zou, Z., Ye, J., & Arakawa, H. (2000). Structural properties of InNbO4 and InTaO4: correlation with photocatalytic and photophysical properties. Chemical Physics Letters, 332(3-4), 271-277. doi:10.1016/s0009-2614(00)01265-3Mao, 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/jb091ib05p04673Dewaele, A., Loubeyre, P., & Mezouar, M. (2004). Equations of state of six metals above94GPa. Physical Review B, 70(9). doi:10.1103/physrevb.70.094112Errandonea, D., Muñoz, A., & Gonzalez-Platas, J. (2014). Comment on «High-pressure x-ray diffraction study of YBO3/Eu3+, GdBO3, and EuBO3: Pressure-induced amorphization in GdBO3» [J. Appl. Phys. 115, 043507 (2014)]. Journal of Applied Physics, 115(21), 216101. doi:10.1063/1.4881057Fauth, F., Peral, I., Popescu, C., & Knapp, M. (2013). The new Material Science Powder Diffraction beamline at ALBA Synchrotron. Powder Diffraction, 28(S2), S360-S370. doi:10.1017/s0885715613000900Hammersley, 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:10.1080/08957959608201408Errandonea, D., Achary, S. N., Pellicer-Porres, J., & Tyagi, A. K. (2013). Pressure-Induced Transformations in PrVO4 and SmVO4 and Isolation of High-Pressure Metastable Phases. Inorganic Chemistry, 52(9), 5464-5469. doi:10.1021/ic400376gErrandonea, D. (2010). The melting curve of ten metals up to 12 GPa and 1600 K. Journal of Applied Physics, 108(3), 033517. doi:10.1063/1.3468149Lacomba-Perales, R., Errandonea, D., Segura, A., Ruiz-Fuertes, J., Rodríguez-Hernández, P., Radescu, S., … Muñoz, A. (2011). A combined high-pressure experimental and theoretical study of the electronic band-structure of scheelite-type AWO4 (A = Ca, Sr, Ba, Pb) compounds. Journal of Applied Physics, 110(4), 043703. doi:10.1063/1.3622322Panchal, V., Errandonea, D., Segura, A., Rodríguez-Hernandez, P., Muñoz, A., Lopez-Moreno, S., & Bettinelli, M. (2011). The electronic structure of zircon-type orthovanadates: Effects of high-pressure and cation substitution. Journal of Applied Physics, 110(4), 043723. doi:10.1063/1.3626060Errandonea, 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:10.1063/1.2345228Hohenberg, P., & Kohn, W. (1964). Inhomogeneous Electron Gas. Physical Review, 136(3B), B864-B871. doi:10.1103/physrev.136.b864Kresse, G., & Hafner, J. (1993). Ab initiomolecular dynamics for liquid metals. Physical Review B, 47(1), 558-561. doi:10.1103/physrevb.47.558Kresse, 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.49.14251Kresse, 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)00008-0Kresse, 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.54.11169Blöchl, P. E. (1994). Projector augmented-wave method. Physical Review B, 50(24), 17953-17979. doi:10.1103/physrevb.50.17953Kresse, G., & Joubert, D. (1999). From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 59(3), 1758-1775. doi:10.1103/physrevb.59.1758Perdew, 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.100.136406Birch, F. (1947). Finite Elastic Strain of Cubic Crystals. Physical Review, 71(11), 809-824. doi:10.1103/physrev.71.809Gomis, O., Sans, J. A., Lacomba-Perales, R., Errandonea, D., Meng, Y., Chervin, J. C., & Polian, A. (2012). Complex high-pressure polymorphism of barium tungstate. Physical Review B, 86(5). doi:10.1103/physrevb.86.054121Harneit, O., & Müller-Buschbaum, H. (1993). InTaO4 und GaTaO4 mit geordneter und ungeordneter Metallverteilung. Journal of Alloys and Compounds, 194(1), 101-103. doi:10.1016/0925-8388(93)90652-4Errandonea, D., Gomis, O., García-Domene, B., Pellicer-Porres, J., Katari, V., Achary, S. N., … Popescu, C. (2013). New Polymorph of InVO4: A High-Pressure Structure with Six-Coordinated Vanadium. Inorganic Chemistry, 52(21), 12790-12798. doi:10.1021/ic402043xBirch, F. (1952). Elasticity and constitution of the Earth’s interior. Journal of Geophysical Research, 57(2), 227-286. doi:10.1029/jz057i002p00227Angel, R. J., Alvaro, M., & Gonzalez-Platas, J. (2014). EosFit7c and a Fortran module (library) for equation of state calculations. Zeitschrift für Kristallographie - Crystalline Materials, 229(5). doi:10.1515/zkri-2013-1711Errandonea, D., Ferrer-Roca, C., Martínez-Garcia, D., Segura, A., Gomis, O., Muñoz, A., … Sapiña, F. (2010). High-pressure x-ray diffraction andab initiostudy ofNi2Mo3N,Pd2Mo3N,Pt2Mo3N,Co3Mo3N, andFe3Mo3N: Two families of ultra-incompressible bimetallic interstitial nitrides. Physical Review B, 82(17). doi:10.1103/physrevb.82.174105Ruiz-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:10.1063/1.4863236Errandonea, D., Manjón, F. J., Muñoz, A., Rodríguez-Hernández, P., Panchal, V., Achary, S. N., & Tyagi, A. K. (2013). High-pressure polymorphs of TbVO4: A Raman and ab initio study. Journal of Alloys and Compounds, 577, 327-335. doi:10.1016/j.jallcom.2013.06.008Errandonea, D., Muñoz, A., Rodríguez-Hernández, P., Proctor, J. E., Sapiña, F., & Bettinelli, M. (2015). Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and SrSeO4. Inorganic Chemistry, 54(15), 7524-7535. doi:10.1021/acs.inorgchem.5b01135Itoh, M., Yokota, H., Horimoto, M., Fujita, M., & Usuki, Y. (2002). Urbach Rule in PbWO4. physica status solidi (b), 231(2), 595-600. doi:10.1002/1521-3951(200206)231:23.0.co;2-wTauc, J. (1968). Optical properties and electronic structure of amorphous Ge and Si. Materials Research Bulletin, 3(1), 37-46. doi:10.1016/0025-5408(68)90023-8Baur, W. H. (1974). The geometry of polyhedral distortions. Predictive relationships for the phosphate group. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 30(5), 1195-1215. doi:10.1107/s0567740874004560Ruiz-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.83.214112Errandonea, 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.78.054116Canepa, P., Hanson, R. M., Ugliengo, P., & Alfredsson, M. (2010). J-ICE: a newJmolinterface for handling and visualizing crystallographic and electronic properties. Journal of Applied Crystallography, 44(1), 225-229. doi:10.1107/s0021889810049411Errandonea, D., Pellicer-Porres, J., Pujol, M. C., Carvajal, J. J., & Aguiló, M. (2015). Room-temperature vibrational properties of potassium gadolinium double tungstate under compression up to 32GPa. Journal of Alloys and Compounds, 638, 14-20. doi:10.1016/j.jallcom.2015.03.02
    corecore