Search results for "Phase Transition"
showing 10 items of 1281 documents
Mechanism of water adsorption in the large pore form of the gallium-based MIL-53 metal-organic framework
2016
Abstract Water adsorption in the large pore ( lp_empty ) form of Ga-MIL-53 was studied by TGA, DSC and in situ XRD and FTIR at 298 K. The large pore form can be stabilized at room temperature after activation under vacuum at 553 K. The isotherm of water adsorption in this large pore form (pore dimensions: 1.67 × 1.33 nm) is very similar to that measured on the narrow pore ( np_empty ) form (pore dimensions: 1.97 × 0.76 nm). Such a similarity is rather unusual given that the pore sizes of these two phases are very different. In order to understand the origin of this effect in situ XRD and FTIR measurements were particularly helpful. It was found that the adsorption of even small amount of wa…
Cooperative phenomena and light-induced bistability in iron(II) spin-crossover compounds
1999
In iron(II) spin-crossover compounds, the transition from the 1A1 low-spin state at low temperatures to the 5T2 high-spin state at elevated temperatures is accompanied by a large increase in metal-ligand bond lengths. The resulting elastic interactions may be pictured as an internal pressure which is proportional to the concentration of the low-spin species. Because pressure stabilises the low-spin state relative to the high-spin state this results in a positive feedback. Thermal transition curves in neat iron(II) spin-crossover compounds are thus invariable much steeper than in diluted mixed crystals, and the high-spin→low-spin relaxation following the light-induced population of the high-…
Integrated experimental and theoretical study on the phase transition and photoluminescent properties of ZrO2:xTb3+ (x=1, 2, 4 and 8 mol %)
2021
Abstract Zirconia (ZrO2) has been intensively studied as an important ceramic material, and numerous technological applications have been found. The present work deals with synthesizing and characterizing the phase transition (cubic vs tetragonal) and photoluminescence emissions of ZrO2:xTb3+ (x = 1,2,4 and 8 mol%). The samples formed by the complex polymerization were thoroughly characterized for physicochemical properties such powder by X-ray diffraction (XRD), and Raman and diffuse reflectance spectroscopies. First-principle calculations at the density functional theory level were performed to complement and rationalize the experimental results. An energy transfer mechanism which promote…
Vibrational Analysis of Paraelectric–Ferroelectric Transition of LiNbO3: An Ab-Initio Quantum Mechanical Treatment
2021
FSG acknowledges the CINECA award under the ISCRA initiative (HP10BJO47B) for the availability of high-performance computing resources and support.
Polymorphism in a π stacked Blatter radical: structures and magnetic properties of 3-(phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[ e ][1,2,4]triazin-4-yl
2020
International audience; 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl (2) demonstrates the first example of polymorphism in the family of Blatter radicals. Two polymorphs, 2α and 2β, have been identified and characterized by single crystal X-ray diffractometry and magnetic susceptibility measurements to investigate their magnetism–structure correlations. Both polymorphs form one-dimensional (1D) π stacks of evenly spaced radicals with distinctly different π–π overlap modes. Within the 1D π stacks, radicals are located at evenly interplanar distances, 3.461 Å for 2α and 3.430 Å for 2β. Magnetic susceptibility studies indicate that both polymorphs exhibit antiferromagnetic …
Differential scanning calorimetric and Raman studies of phase transition V ⇌ IV of ammonium nitrate
1993
Abstract Differential scanning calorimetry, alone and in conjunction with Raman spectrophotometry for simultaneous calorimetric and spectral measurements, was used to study the solid state phase transitions of ammonium nitrate between − 50 and 100 °C. On heating, two transition paths were observed between − 40 and 0 °C: one showing two separate peaks in DSC and the other showing a single peak. The latter path became dominant when samples were thermally cycled. The double transition was followed by transition IV →II at 51 °C and the single transition by transitions IV → III → II at about 50 and 87 °C. Raman spectra showed that there were two phases present between the two DSC peaks at low te…
Nucleation and Collapse of the Superconducting Phase in Type-I Superconducting Films
2005
The phase transition between the intermediate and normal states in type-I superconducting films is investigated using magneto-optical imaging. Magnetic hysteresis with different transition fields for collapse and nucleation of superconducting domains is found. This is accompanied by topological hysteresis characterized by the collapse of circular domains and the appearance of lamellar domains. Magnetic hysteresis is shown to arise from supercooled and superheated states. Domain-shape instability resulting from long-range magnetic interaction accounts well for topological hysteresis. Connection with similar effects in systems with long-range magnetic interactions is emphasized.
Experimental and Theoretical Study of SbPO 4 under Compression
2019
SbPO4 is a complex monoclinic layered material characterized by a strong activity of the non-bonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a-axis and linked by weak Sb-O electrostatic interactions. In fact, Sb is 4-fold coordination with O similar to what occurs with the P-O coordination, despite the large difference of ionic radii and electronegativity between both elements. Here we report a joint experimental and theoretical study of the structural and vibrational properties of SbPO4 at high pressure. We show that SbPO4 is not only one of the most compressible phosphates but also one of the most compressible compounds of …
First-Principles Study on Polymorphs of AgVO3: Assessing to Structural Stabilities and Pressure-Induced Transitions
2017
In this paper, we present a comprehensive theoretical study, based on density-functional theory calculations, and which focuses on the structural and electronic properties of silver vanadium oxide (AgVO3) in the monoclinic [Cm (β-AgVO3), C2/c (α-AgVO3), and Cc], orthorhombic (Amm2), and cubic (Pm3̅m) phases from 0–30 GPa. The structural and electronic properties, the stability of different phases, and the pressure-induced solid–solid phase transitions of AgVO3 have been previously studied. The effects of pressure on the band structures, energy–gap values, density of states, and vibrational frequencies are also studied. Numerical and analytical calculations are conducted to obtain the lattic…
Properties of dirty two-band superconductors with repulsive interband interaction: Normal modes, length scales, vortices, and magnetic response
2018
Disorder in two-band superconductors with repulsive interband interaction induces a frustrated competition between the phase-locking preferences of the various potential and kinetic terms. This frustrated interaction can result in the formation of an $s+is$ superconducting state, that breaks the time-reversal symmetry. In this paper we study the normal modes and their associated coherence lengths in such materials. We especially focus on the consequences of the soft modes stemming from the frustration and time-reversal-symmetry breakdown. We find that two-bands superconductors with such impurity-induced frustrated interactions display a rich spectrum of physical properties that are absent i…