Search results for "solid"
showing 10 items of 3575 documents
High-pressure structural phase transitions in CuWO4
2010
We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments up to 27 GPa as well as ab initio total-energy and lattice-dynamics calculations. Experiments provide evidence that a structural phase transition takes place at 10 GPa from the low-pressure triclinic phase (P-1) to a monoclinic wolframite-type structure (P2/c). Calculations confirmed this finding and indicate that the phase transformation involves a change in the magnetic order. In addition, the equation of state for the triclinic phase is determined: V0 = 132.8(2) A3, B0 = 139 (6) GPa and = 4. Furthermore, experim…
Controlling magnetism with light in zero orbital angular momentum antiferromagnet
2023
Antiferromagnetic materials feature intrinsic ultrafast spin dynamics, making them ideal candidates for future magnonic devices operating at THz frequencies. A major focus of current research is the investigation of optical methods for the efficient generation of coherent magnons in antiferromagnetic insulators. In magnetic lattices endowed with orbital angular momentum, spin-orbit coupling enables spin dynamics through the resonant excitation of low-energy electric dipoles such as phonons and orbital resonances which interact with spins. However, in magnetic systems with zero orbital angular momentum, microscopic pathways for the resonant and low-energy optical excitation of coherent spin …
X-ray-diffraction study of the crystal structures and orientational glass state ofAr1−x(N2)xsolid solutions
1990
Solid solutions of ${\mathrm{Ar}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$(${\mathrm{N}}_{2}$${)}_{\mathit{x}}$ have been investigated by x-ray powder diffraction in the range 0.5x1.0, 8T60 K, and under hydrostatic pressures up to 2200 bars. The structural hcp-cubic (Pa3) phase transition is identified as a martensitic transformation with a wide transformation hysteresis. For x0.8 and T30 K the solid solutions show the orientational glass state, which is characterized by a superposition of inhomogeneous and homogeneous lattice strains. The inhomogeneous component is described by the random-field model. The homogeneous component corresponds to an orthorhombic distortion of the hcp lattice. Two …
Depolarization Field and Properties of Thin Ferroelectric Films with Inclusion of the Electrode Effect
2005
The influence of metallic electrodes on the properties of thin ferroelectric films is considered in the framework of the Ginzburg-Landau phenomenological theory. The contribution of the electrodes with different screening lengths l s of carriers in the electrode material is included in the free-energy functional. The critical temperature T cl , the critical thickness of the film, and the critical screening length of the electrode at which the ferroelectric phase transforms into the paraelectric phase are calculated. The Euler-Lagrange equation for the polarization P is solved by the direct variational method. The results demonstrate that the film properties can be calculated by minimizing t…
Large scale computer modelling of point defects in ABO 3 perovskites
2005
We present results for basic intrinsic defects: F-type electron centers, free and bound electron and hole polarons in ABO3 perovskites. Both one-site (atomic) and two-site (molecular) hole polarons are expected to coexist, characterized by close absorption energies. Shell Model (SM) and intermediate neglect of differential overlap (INDO) calculations of the F center diffusion indicate that the relevant activation energy is quite low, ca. 0.8 eV. Further INDO calculations support the existence of self-trapped electron polarons in PbTiO3, BaTiO3, KNbO3, and KTaO3 crystals. The relevant lattice relaxation energies are typically 0.2 eV, whereas the optical absorption energies are around 0.8 eV.…
Thermodynamic properties at the phase transition of Pb(Zr, Sn, Ti)O3solid solutions
2000
Abstract Field induced deformation and electrocaloric effect are investigated in the vicinity of phase transition at 163°C. The sharp increase of electrostriction below Tc is explained by the field induced ferroelectric to antiferroelectric phase transition. The antiferroelectric phase appears and remains stable below Tc in the absence of field. Elastic compliance and thermal expansion as functions of temperature are studied.
Phase transitions of Pb0.99Nb0.02(Zr0.75Sn0.20Ti0.05)O3ceramics
2001
Abstract The dielectric, elastic and electromechanical properties, electrocaloric effect and thermal expansion of poled and depoled Pb0.99Nb0.02(Zr0.75Sn0.20Ti0.05)O3 samples are presented to evaluate the nature of polar phases existing in the solid solution above room temperature. The Kittel's free energy expansion is used to explain some essential features of physical properties.
Interphase Model and Phase-Field Approach for Strain Localization
2020
Quasi-brittle materials subjected to a high level of mechanical solicitations see the development in relatively narrow zone of micro-cracks that coalesce into stress free cracks. In this work, the problem of strain localization in elastoplastic materials exhibiting softening has been approached by applying the interphase model together with the phase-field theory. In particular, the narrow zone where strains concentrate, usually named process zone or localization band, is kinematically modeled using the interphase model, while the phase-field variable is introduced to regularize the contact strains at the interface between the plastic strain band and the surrounding material. This correspon…
Atomic lattice excitons: from condensates to crystals
2007
We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean setup to study fundamental properties of excitons, ranging from condensation to exciton crystals (which appear for a large effective mass ratio between particles and holes). Using both mean-field treatments and 1D numerical computation, we discuss the properities of ALEs under varying conditions, and discuss in particular their preparation and measurement.
Supersolid-superfluid phase separation in the extended Bose-Hubbard model
2021
Recent studies have suggested a new phase in the extended Bose-Hubbard model in one dimension at integer filling [1,2]. In this work, we show that this new phase is phase-separated into a supersolid and superfluid part, generated by mechanical instability. Numerical simulations are performed by means of the density matrix renormalization group algorithm in terms of matrix product states. In the phase-separated phase and the adjacent homogeneous superfluid and supersolid phases, we find peculiar spatial patterns in the entanglement spectrum and string-order correlation functions and show that they survive in the thermodynamic limit. In particular, we demonstrate that the elementary excitatio…