Search results for " phase transition"

Superconducting size effect in thin films under electric field: Mean-field self-consistent model

2019

We consider effects of an externally applied electrostatic field on superconductivity, self-consistently within a BCS mean field model, for a clean 3D metal thin film. The electrostatic change in superconducting condensation energy scales as $\mu^{-1}$ close to subband edges as a function of the Fermi energy $\mu$, and follows 3D scaling $\mu^{-2}$ away from them. We discuss nonlinearities beyond gate effect, and contrast results to recent experiments.

High-pressure characterization of multifunctional CrVO4

2020

[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 …

Structural phase transition in [(C2H5)4N][(CH3)4N]ZnCl4

2019

The hybrid crystal [(C2H5)4N][(CH3)4N]ZnCl4 was studied using several experimental methods. DSC studies revealed the first order phase transition to the high temperature phase at about 496 K. This phase transition was confirmed in dielectric studies. Optical observation revealed the domain structure appearance characteristic for that of the phase transition between tetragonal and orthorhombic phases. This phase transition shows a lowering of symmetry as in the case of bromide analogs. Additionally, the optical studies showed the appearance of a number of cracks in the sample and in some cases, the samples became milky after cooling from the high temperature to the room temperature phase.

Structure and dielectric properties at phase transition of Na1/2Bi1/2TiO3-BaTiO3 solid solutions

2016

ABSTRACTPhase coexistence region is studied by x-ray diffraction for Na1/2Bi1/2TiO3-BaTiO3 solid solutions in the tetragonal phase side from the morphotropic phase boundary. The first order ferroelectric phase transition, determined from a jump in the temperature dependence of dielectric permittivity, is located inside the coexistence region of cubic and tetragonal phases and is below the temperature, where tetragonality disappears. At low BaTiO3 concentrations phase transition into ferroelectric state at cooling is slowly approached in time and is smeared over large temperature range. Rietveld method, applied for more precise evaluation of phase content, reveals large local deformations in…

Intramolecular structural parameters are key modulators of the gel-liquid transition in coarse grained simulations of DPPC and DOPC lipid bilayers

2018

The capability of coarse-grained models based on the MARTINI mapping to reproduce the gel-liquid phase transition in saturated and unsaturated model lipids was investigated. We found that the model is able to reproduce a lower critical temperature for 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) with respect to 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC). Nonetheless, the appearance of a gel phase for DOPC is strictly dependent on the intramolecular parameters chosen to model its molecular structure. In particular, we show that the bending angle at the coarse-grained bead corresponding to the unsaturated carbon-carbon bond acts as an order parameter determining the temperature of …

Fractional hereditariness of lipid membranes: Instabilities and linearized evolution

2016

In this work lipid ordering phase changes arising in planar membrane bilayers is investigated both accounting for elas- ticity alone and for effective viscoelastic response of such assemblies. The mechanical response of such membranes is studied by minimizing the Gibbs free energy which penalizes perturbations of the changes of areal stretch and their gradients only [1]. As material instabilities arise whenever areal stretches characterizing homogeneous configurations lie inside the spinoidal zone of the free energy density, bifurcations from such configurations are shown to occur as oscillatory perturbations of the in-plane displacement. Experimental observations [2] show a power-law in-pl…

A Bader’s topological approach for the investigation of the high pressure stability field of the Mg-perovskite phase

2014

The pressure-induced ringwoodite to Mg-perovskite and periclase post-spinel phase transition: a Bader’s topological analysis of the ab initio electro…

2011

In order to characterize the pressure-induced decomposition of ringwoodite (c-Mg2SiO4), the topological analysis of the electron density q(r), based upon the theory of atoms in molecules (AIM) developed by Bader in the framework of the catastrophe theory, has been performed. Calculations have been carried out by means of the ab initio CRYSTAL09 code at the HF/DFT level, using Hamiltonians based on the Becke- LYP scheme containing hybrid Hartree– Fock/density functional exchange–correlation terms. The equation of state at 0 K has been constructed for the three phases involved in the post-spinel phase transition (ringwoodite -> Mg-perovskite + periclase) occurring at the transition zone–lower…

Simulating Terahertz Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO3

2021

Recent experiments have demonstrated that light can induce a transition from the quantum paraelectric to the ferroelectric phase of SrTiO3. Here, we investigate this terahertz field-induced ferroelectric phase transition by solving the time-dependent lattice Schrödinger equation based on first-principles calculations. We find that ferroelectricity originates from a light-induced mixing between ground and first excited lattice states in the quantum paraelectric phase. In agreement with the experimental findings, our study shows that the nonoscillatory second harmonic generation signal can be evidence of ferroelectricity in SrTiO3. We reveal the microscopic details of this exotic phase transi…

Magnetic quantum criticality in quasi-one-dimensional Heisenberg antiferromagnet Cu (C4H4N2)( NO 3)2

2016

We analyze exciting recent measurements [Phys. Rev. Lett. 114 (2015) 037202] of the magnetization, differential susceptibility and specific heat on one dimensional Heisenberg antiferromagnet Cu(C4H4N2)(NO3)2 (CuPzN) subjected to strong magnetic fields. Using the mapping between magnons (bosons) in CuPzN and fermions, we demonstrate that magnetic field tunes the insulator towards quantum critical point related to so-called fermion condensation quantum phase transition (FCQPT) at which the resulting fermion effective mass diverges kinematically. We show that the FCQPT concept permits to reveal the scaling behavior of thermodynamic characteristics, describe the experimental results quantitativ…