A5061290933- High-pressure geophysics and materials
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystal Structures and Properties
- Advanced Condensed Matter Physics
- Solid-state spectroscopy and crystallography
- Electronic and Structural Properties of Oxides
- Rare-earth and actinide compounds
- Geological and Geochemical Analysis
- Nuclear materials and radiation effects
- Luminescence Properties of Advanced Materials
- Inorganic Chemistry and Materials
- 2D Materials and Applications
- Catalysis and Oxidation Reactions
- Chalcogenide Semiconductor Thin Films
- Thermal Expansion and Ionic Conductivity
- Topological Materials and Phenomena
- Boron and Carbon Nanomaterials Research
- ZnO doping and properties
- Gas Sensing Nanomaterials and Sensors
- Magnetic and transport properties of perovskites and related materials
- Crystallography and molecular interactions
- Inorganic Fluorides and Related Compounds
- Advanced Thermoelectric Materials and Devices
- Thermal and Kinetic Analysis
ALBA Synchrotron (Spain)
2016-2025
Centre for Research on Ecology and Forestry Applications
2021
Roslin Cells (United Kingdom)
2021
Bhabha Atomic Research Centre
2020
Homi Bhabha National Institute
2020
Instituto de Nanociencia y Materiales de Aragón
2015
Universidad Autónoma del Estado de Hidalgo
2014
Universitat de València
2014
Université Paris-Sud
2011-2012
Centre National de la Recherche Scientifique
2011-2012
The current report describes the installation and preliminary commissioning of Material Science Powder Diffraction (MSPD) beamline at Spanish synchrotron ALBA-CELLS. is fully dedicated to powder diffraction techniques consists two experimental stations positioned in series: a High Pressure/Microdiffraction station Resolution/High Throughput station.
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 exhibit a recently discovered pressure-induced transition, the so-called core-level crossing at lowest pressure among all metals. Here, we report an experimental structural characterization of by x-ray probes sensitive both long- short-range order in matter. Synchrotron-based powder...
There is currently great interest in replacing the harmful volatile hydrofluorocarbon fluids used refrigeration and air-conditioning with solid materials that display magnetocaloric, electrocaloric or mechanocaloric effects. However, field-driven thermal changes all of these caloric fall short respect to their fluid counterparts. Here we show plastic crystals neopentylglycol (CH3)2C(CH2OH)2 unprecedentedly large pressure-driven near room temperature due molecular reconfiguration, are...
The large change of unit cell volume at the martensitic transition all-$d$-metal Heusler shape memory alloys suggests that these compounds are prone to exhibit a barocaloric response. In this paper, composition Ni-Mn-Ti alloy has been tailored so it undergoes martenistic between two structural phases which do not ferromagnetically order, thereby leading entropy change. combination and changes confers an outstanding effect close room temperature. performances found for studied compound...
The high-pressure crystal structure evolution of CH3NH3PbBr3 (MAPbBr3) perovskite has been investigated by single-crystal X-ray diffraction and synchrotron-based powder diffraction. Single-crystal reveals that the MAPbBr3 undergoes two phase transitions following space-group sequence: Pm3̅m → Im3̅ Pmn21, unveiling occurrence a nonpolar/polar transition (Im3̅ Pmn21). take place at around 0.8 1.8 GPa, respectively. This result contradicts previously reported →Pnma. In this work, structures...
Antimony trisulfide (Sb2S3), found in nature as the mineral stibnite, has been studied under compression at room temperature from a joint experimental and theoretical perspective. X-ray diffraction Raman scattering measurements are complemented with ab initio total-energy, lattice-dynamics, electronic structure calculations. The continuous changes observed volume, lattice parameters, axial ratios, bond lengths, mode frequencies function of pressure can be attributed to different...
We report a high-pressure experimental and theoretical investigation of the structural properties zircon-type HoVO4. Angle-dispersive x-ray diffraction measurements were carried out under quasi-hydrostatic partial non-hydrostatic conditions up to 28 23.7 GPa, respectively. In first case, an irreversible phase transition is found at 8.2 GPa. second onset detected 4.5 (reversible) 20.4 decomposition HoVO4 was observed. The structures different phases have been assigned their equations state...
The high-pressure crystal structure, lattice-vibrations, and electronic band structure of BiSbO4 were studied by ab initio simulations. We also performed Raman spectroscopy, infrared diffuse-reflectance measurements, as well synchrotron powder X-ray diffraction. High-pressure diffraction measurements show that the remains stable up to at least 70 GPa, unlike other known MTO4-type ternary oxides. These experiments give information on pressure dependence unit-cell parameters. Calculations...
In this work, we report evidence of pressure-induced changes in the crystal structure Sr(IO3)2HIO3 connected to coordination iodine atom and configuration HIO3 IO3 units. The favor hypercoordination happen two steps on sample compression. Firstly, at 2.5 GPa, [HIO3]·[IO3] complexes are formed, secondly, 4.5 these form dimers [HIO3]·[IO3]·[IO3]·[HIO3]. is obtained from a combined experimental theoretical study performed up 20 GPa. Synchrotron powder X-ray diffraction, Raman spectroscopy,...
We report a joint experimental and theoretical study of the structural vibrational properties synthetic sphaerobismoite (β-Bi2O3) at high pressures in which room-temperature angle-dispersive X-ray diffraction (XRD) Raman scattering measurements have been complemented with ab initio total-energy lattice dynamics calculations. Striking changes spectra were observed around 2 GPa, whereas evidence no change tetragonal symmetry compound up to 20 GPa; however, significant exists compressibility...
A new wolframite-type polymorph of InVO4 is identified under compression near 7 GPa by in situ high-pressure (HP) X-ray diffraction (XRD) and Raman spectroscopic investigations on the stable orthorhombic InVO4. The structural transition accompanied a large volume collapse (ΔV/V = −14%) drastic increase bulk modulus (from 69 to 168 GPa). Both techniques also show existence third phase coexisting with low- phases limited pressure range close pressure. XRD studies revealed highly anisotropic In...
An experimental and theoretical study of the structural properties monoclinic bismuth oxide (alfa-Bi2O3) under high pressures is here reported. Both synthetic mineral bismite powder samples have been compressed up to 45 GPa their equations state determined with angle-dispersive x-ray diffraction measurements. Experimental results also compared calculations which suggest possibility several phase transitions below 10 GPa. However, experiments reveal only a pressure-induced amorphisation...
We have studied the structural behavior of bismuth phosphate under compression. performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs; trigonal (phase I) monoclinic (phases II III). Phases I III, at low pressure (0.2-0.8 GPa), transform into phase II, which has a monazite-type structure. At room temperature, this polymorph is stable GPa. Calculations support these findings predict occurrence an...
A new zeolite (named as ITQ-52) having large cavities and small medium channels has been synthesized. This was achieved by using a family of amino-phosphonium cations organic structure directing agents (OSDA). These contain P–C P–N bonds, therefore they lie between previously reported P-containing OSDA, such tetraalkylphosphonium phosphazenes. In this study, it found that 1,4-butanediylbis[tris(dimethylamino)]phosphonium dication is very efficient OSDA for crystallization several zeolites,...
The peptidic linker in Zn(GlyTyr)<sub>2</sub> provides a compressible cushion that allows for accommodating large distortions the framework whilst avoiding amorphization.
We report a joint experimental and theoretical study of the structural, vibrational, elastic, optical, electronic properties layered high-mobility semiconductor Bi2O2Se at high pressure. A good agreement between experiments ab initio calculations is observed for equation state, pressure coefficients Raman-active modes bandgap material. In particular, detailed description vibrational provided. Unlike other Sillén-type compounds which undergo tetragonal to collapsed pressure-induced phase...
High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of topological electron density electronic localization function, evidence presence an isostructural phase transition around 2 GPa, a Fermi resonance 3.5 pressure-induced decomposition SnSb2Te4 into high-pressure phases its parent binary compounds (α-Sb2Te3 SnTe) above 7 GPa. The internal polyhedral compressibility, behavior Raman-active modes,...
CrI
The crystal structure of the CH3NH3PbBr3 perovskite has been investigated under high-pressure conditions by synchrotron-based powder X-ray diffraction. We found that after previously reported phase transitions in (Pm3̅m→Im3̅→Pmn21), which occur below 2 GPa, there is a third transition to crystalline at 4.6 GPa. This here for first time contradicting previous studies, amorphization between 2.3 and Our diffraction measurements show remains up least 7.6 highest pressure covered experiments. new...
To characterize in detail the charge density wave (CDW) transition of 1T−VSe2, its electronic structure and lattice dynamics are comprehensively studied by means x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse inelastic scattering, state-of-the-art first-principles functional theory calculations. Resonant elastic scattering does not show any resonant enhancement at either V or Se, indicating that CDW peak K edges describes a purely structural modulation...