Suchergebnisse

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 MnWO INF>4 /INF>. 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.91.104109 ; S ; 104109-1 ; 104109-7 ; 91 ; 10 ; Cheong, S.-W., & Mostovoy, M. (2007). Multiferroics: a magnetic twist for ...

[EN] Interactions between smooth muscle cells (SMCs) and biomaterials must not result in phenotype changes as this may generate uncontrolled multiplication processes and occlusions in vascular grafts. The aim of this study was to relate the hydrolytic stability and biocompatibility of polyurethanes (PUs) on SMCs. A higher polycaprolactone (PCL) concentration was found to improve the hydrolytic stability of the material and the adhesion of SMCs. A material with 5% polyethylene glycol, 90% PCL, and 5% pentaerythritol presented high cell viability and adhesion, suggesting a contractile phenotype in SMCs depending on the morphology. Nevertheless, all PUs retained their elastic modulus over 120 days, similar to the collagen of native arteries (similar to 10 MPa). Furthermore, aortic SMCs did not present toxicity (viability over 80%) and demonstrated adherence without any abnormal cell multiplication processes, which is ideal for the function to be fulfiled in situ in the vascular grafts. ; The research and publication were supported by the Universidad de La Sabana (ING-205-2018) and the Minister of Science, Technology, and Innovation of the Republic of Colombia, MINCIENCAS (Contract number 80740-186-2019). M. M-G. would like to thank the Universidad de La Sabana for the scholarship for her master's studies. S. A-A. would like to thank MINCIENCIAS for the doctoral training scholarship (Grant 727-2015). The authors are thankful to Professor Ericsson Coy Barrera and his staff at Nueva Granada Military University for the access to the VarioskanT LUX multimode microplate reader. J. A. S. acknowledges the financial support by MINECO through FIS2017-83295-P, MAT2015-71070-REDC, MAT2016-75586-C4-1/2/3-P and the Ramon y Cajal Fellowship (RYC-201517482). CIBER-BBN is an initiative funded by the VI National R&D&I Plan 2008-2011, Iniciativa Ingenio 2010, Consolider Program. CIBER actions are financed by the Instituto de Salud Carlos III with assistance from the European Regional Development Fund. ; Morales-Gonzalez, M.; ...

3276 3285 35 23-24 ; S ; [EN] Interactions between smooth muscle cells (SMCs) and biomaterials must not result in phenotype changes as this may generate uncontrolled multiplication processes and occlusions in vascular grafts. The aim of this study was to relate the hydrolytic stability and biocompatibility of polyurethanes (PUs) on SMCs. A higher polycaprolactone (PCL) concentration was found to improve the hydrolytic stability of the material and the adhesion of SMCs. A material with 5% polyethylene glycol, 90% PCL, and 5% pentaerythritol presented high cell viability and adhesion, suggesting a contractile phenotype in SMCs depending on the morphology. Nevertheless, all PUs retained their elastic modulus over 120 days, similar to the collagen of native arteries (similar to 10 MPa). Furthermore, aortic SMCs did not present toxicity (viability over 80%) and demonstrated adherence without any abnormal cell multiplication processes, which is ideal for the function to be fulfiled in situ in the vascular grafts. The research and publication were supported by the Universidad de La Sabana (ING-205-2018) and the Minister of Science, Technology, and Innovation of the Republic of Colombia, MINCIENCAS (Contract number 80740-186-2019). M. M-G. would like to thank the Universidad de La Sabana for the scholarship for her master's studies. S. A-A. would like to thank MINCIENCIAS for the doctoral training scholarship (Grant 727-2015). The authors are thankful to Professor Ericsson Coy Barrera and his staff at Nueva Granada Military University for the access to the VarioskanT LUX multimode microplate reader. J. A. S. acknowledges the financial support by MINECO through FIS2017-83295-P, MAT2015-71070-REDC, MAT2016-75586-C4-1/2/3-P and the Ramon y Cajal Fellowship (RYC-201517482). CIBER-BBN is an initiative funded by the VI National R&D&I Plan 2008-2011, Iniciativa Ingenio 2010, Consolider Program. CIBER actions are financed by the Instituto de Salud Carlos III with assistance from the European Regional Development Fund. ...

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/jp512131e ; We report on high-pressure angle-dispersive X-ray diffraction data up to 27 GPa for natural MgAlBO4 sinhalite mineral and ab initio total energy calculations. The experimental bulk modulus of sinhalite is B-0 = 171(3) GPa with a first-pressure derivative of B-0' = 4.2(3). A comparison with other olivine-type compounds shows that the value for B0 is 27% larger than that of Mg2SiO4 forsterite and 29% smaller than that of Al2BeO4 chrysoberyl. These differences are interpreted, on the basis of our ab initio calculations, in terms of the relative incompressibility of Al-O bonds in AlO6 octahedra (with a calculated bulk modulus of 250(1) GPa) as compared to Mg-O bonds in MgO6 octahedra (with a calculated bulk modulus of 130(1) GPa). The spatial cation distribution in the Pbnm orthorhombic unit cell and different polyhedral compressibilities entails a strong anisotropic compression comparable to that of forsterite. The axial compressibilities are 1.06(2) x 10(-3), 2.17(2) x 10(-3), and 1.30(3) x 10(-3) GPa(-1) for a, b, and c axes, respectively. The crystal chemistry of sinhalite under compression is compared to that of other olivine-like compounds. Compressibility trends and possible high-pressure phases are discussed. ; This study was supported by the Spanish government MEC under Grants No: MAT2010-21270-C04-01/03/04, MAT2013-46649-C4-1/2/3-P, and CTQ2009-14596-C02-01, by the Comunidad de Madrid and European Social Fund (S2009/PPQ1551 4161893), by MALTA Consolider Ingenio 2010 project (CSD2007-00045), and by Generalitat Valenciana (GVA-ACOMP-2013-1012 and GVA-ACOMP-2014-243). Experiments were performed at MSPD beamline at ALBA Synchrotron Light Facility with the collaboration of ALBA staff A.M. and P.R-H. ...

[EN] The 5d transition metals have attracted specific interest for high-pressure studies due to their extraordinary stability and intriguing electronic properties. In particular, iridium metal has been proposed to exhibit a recently discovered pressure-induced electronic transition, the so-called core-level crossing transition at the lowest pressure among all the 5d transition metals. Here, we report an experimental structural characterization of iridium by x-ray probes sensitive to both long- and short-range order in matter. Synchrotron-based powder x-ray diffraction results highlight a large stability range (up to 1.4 Mbar) of the low-pressure phase. The compressibility behaviour was characterized by an accurate determination of the pressure-volume equation of state, with a bulk modulus of 339(3) GPa and its derivative of 5.3(1). X-ray absorption spectroscopy, which probes the local structure and the empty density of electronic states above the Fermi level, was also utilized. The remarkable agreement observed between experimental and calculated spectra validates the reliability of theoretical predictions of the pressure dependence of the electronic structure of iridium in the studied interval of compressions. ; The authors thank the financial support of the Spanish Ministry of Science, Innovation and Universities, the Spanish Research Agency (AEI), the European Fund for Regional Development (FEDER) under Grant No. MAT2016-75586-C4-1/2-P and the Generalitat Valenciana under Grant Prometeo/2018/123 (EFIMAT). V. M. acknowledges the Juan de la Cierva fellowship (FJCI-2016-27921) and J.A.S. acknowledges the Ramón y Cajal fellowship program (RYC-2015-17482) and Spanish Mineco Project FIS2017-83295-P. We acknowledge the European Synchrotron Radiation Facility for provision of official research beamtimes, the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO-Mat-LiU No 2009 00971), Knut and Alice Wallenbergs Foundation Project Strong ...

The compression process in the α-phase of europium trimolybdate was revised employing several experimental techniques. X-ray diffraction (using synchrotron and laboratory radiation sources), Raman scattering and photoluminescence experiments were performed up to a maximum pressure of 21 GPa. In addition, the crystal structure and Raman mode frequencies have been studied by means of first-principles density functional based methods. Results suggest that the compression process of α-Eu2(MoO4)3 can be described by three stages. Below 8 GPa, the α-phase suffers an isotropic contraction of the crystal structure. Between 8 and 12 GPa, the compound undergoes an anisotropic compression due to distortion and rotation of the MoO4 tetrahedra. At pressures above 12 GPa, the amorphization process starts without any previous occurrence of a crystalline-crystalline phase transition in the whole range of pressure. This behavior clearly differs from the process of compression and amorphization in trimolybdates with β′-phase and tritungstates with α-phase. ; We thank Diamond Light Source for access to beamline I15 (EE1746) that contributed to the results presented here. Part of the diffraction measurements were performed at the 'Servicio Integrado de Difraccion de Rayos X (SIDIX)' of University of La Laguna. This work has been supported by Ministerio de Economia y Competitividad of Spain (MINECO) for the research projects through the National Program of Materials (MAT2010-21270-C04-01/02/03/04, MAT2013-46649-C41/2/3/4-P and MAT2013-43319-P), the Consolider-Ingenio 2010 MALTA (CSD2007-00045), the project of Generalitat Valenciana (GVA-ACOMP/2014/243) and by the European Union FEDER funds. C Guzman-Afonso wishes to thank ACIISI and FSE for a fellowship. J A Sans thanks the FPI and 'Juan de la Cierva' programs for fellowships. ; Guzmán-Afonso, C.; León-Luis, S.; Sans-Tresserras, JÁ.; González -Silgo, C.; Rodríguez-Hernández, P.; Radescu, S.; muñoz, A. (2015). Experimental and theoretical study of α–Eu2(MoO4)3 under compression. ...

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/jp5077565 ; We report a comprehensive experimental and theoretical study of the structural and vibrational properties of a-CdIn2Se4 under compression. Angle-dispersive synchrotron X-ray diffraction and Raman spectroscopy evidence that this ordered-vacancy compound with pseudocubic structure undergoes a phase transition (7 GPa) toward a disordered rocksalt structure as observed in many other ordered-vacancy compounds. The equation of state and the pressure dependence of the Raman-active modes of this semiconductor have been determined and compared both to ab initio total energy and lattice dynamics calculations and to related compounds. Interestingly, on decreasing pressure, at similar to 2 GPa, CdIn2Se4 transforms into a spinel structure which, according to calculations, is energetically competitive with the initial pseudocubic phase. The phase behavior of this compound under compression and the structural and compressibility trends in AB(2)Se(4) selenides are discussed. ; This study was supported by the Spanish government MEC under Grant Nos: MAT2013-46649-C4-3-P, MAT2013-46649-C4-2-P, MAT2010-21270-C04-03/04, and CTQ2009-14596-C02-01, by MALTA Consolider Ingenio 2010 Project (CSD2007-00045) and by Generalitat Valenciana (GVA-ACOMP-2013-1012). A.M. and P.R-H. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster, and also to S. Munoz-Rodriguez for providing a data-parsing application. J.A.S. acknowledges Juan de la Cierva fellowship program for financial support. ; Santamaría Pérez, D.; Gomis, O.; Pereira, ALJ.; Vilaplana Cerda, RI.; Popescu, C.; Sans Tresserras, JÁ.; Manjón Herrera, FJ. (2014). Structural and vibrational study of pseudocubic CdIn2Se4 under compression. ...

[EN] We report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of layered monoclinic arsenic sulfide crystals (a-As2S3), aka mineral orpiment, under compression. X-ray diffraction and Raman scattering measurements performed on orpiment samples at high pressure and combined with ab initio calculations have allowed us to determine the equation of state and the tentative assignment of the symmetry of many Raman-active modes of orpiment. From our results, we conclude that no first-order phase transition occurs up to 25 GPa at room temperature; however, compression leads to an isostructural phase transition above 20 GPa. In fact, the As coordination increases from threefold at room pressure to more than fivefold above 20 GPa. This increase in coordination can be understood as the transformation from a solid with covalent bonding to a solid with metavalent bonding at high pressure, which results in a progressive decrease of the electronic and optical bandgap, an increase of the dielectric tensor components and Born effective charges, and a considerable softening of many high-frequency optical modes with increasing pressure. Moreover, we propose that the formation of metavalent bonding at high pressures may also explain the behavior of other group-15 sesquichalcogenides under compression. In fact, our results suggest that group-15 sesquichalcogenides either show metavalent bonding at room pressure or undergo a transition from p-type covalent bonding at room pressure towards metavalent bonding at high pressure, as a precursor towards metallic bonding at very high pressure. ; The authors are thankful for the financial support from Spanish Ministerio de Economia y Competitividad (MINECO) through MAT2016-75586-C4-2/3-P, FIS2017-83295-P and MALTA Consolider Team project (RED2018-102612-T). Also from Generalitat Valenciana under project PROMETEO/2018/123-EFIMAT. ELDS acknowledges the European Union FP7 People: Marie-Curie Actions programme for grant agreement No. ...

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/acs.jpcc.6b06049 ; We report a study of the structural, vibrational, and electronic properties of layered monoclinic arsenic telluride (α-As2Te3) at high pressures. Powder X-ray diffraction and Raman scattering measurements up to 17 GPa have been complemented with ab initio total-energy, lattice dynamics, and electronic band structure calculations. Our measurements, which include previously unreported Raman scattering measurements for crystalline α-As2Te3, show that this compound undergoes a reversible phase transition above 14 GPa at room temperature. The monoclinic crystalline structure of α-As2Te3 and its behavior under compression are analyzed by means of the compressibility tensor. Major structural and vibrational changes are observed in the range between 2 and 4 GPa and can be ascribed to the strengthening of interlayer bonds. No evidence of any isostructural phase transition has been observed in α-As2Te3. A comparison with other group 15 sesquichalcogenides allows understanding the structure of α-As2Te3 and its behavior under compression based on the activity of the cation lone electron pair in these compounds. Finally, our electronic band structure calculations show that α-As2Te3 is a semiconductor at 1 atm, which undergoes a trivial semiconducting−metal transition above 4 GPa. The absence of a pressure-induced electronic topological transition in α-As2Te3 is discussed. ; This work has been performed under financial support from Projects MAT2013-46649-C4-2-P, MAT2013-46649-C4-3-P, MAT2015-71070-REDC, FIS2013-48286-C2-1-P, and FIS2013-48286-C2-2-P of the Spanish Ministry of Economy and Competitiveness (MINECO), and the Department of Education, Universities and Research of the Basque Government and UPV/EHU ...