Search results for "Phase Transition"
showing 10 items of 1281 documents
Phase transitions in modified Na 1/2 Bi 1/2 TiO 3 ‐SrTiO 3 solid solutions
2009
Continuous transfer from relaxor to normal ferroelectric phase transition is found in Na1/2Bi1/2TiO3-SrTiO3-PbTiO3 if concentration of PbTiO3 increases. The relaxor properties in NBT solid solutions are described by the power law and Vogel-Fulcher relationship, and concentration dependence of the relevant parameters is discussed. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Monte Carlo simulations of Ising models and polymer blends in double wedge geometry: Evidence for novel types of critical phenomena
2005
Abstract Two-phase coexistence in systems with free surfaces is enforced by boundary fields requiring the presence of an interface. Varying the temperature or the surface field, one can observe new types of phase transitions where the interface essentially disappears (it becomes bound to a wall or a wedge or a corner of the system). These transitions are simulated with Monte Carlo for Ising ferromagnets and polymer blends, applying finite size scaling analysis. Anisotropic critical fluctuations may occur, and in the limit where the system becomes macroscopically large in all three directions the order parameter vanishes discontinuously (either because its exponent β = 0 , or its critical am…
Self-Ordered Second-Component Nb Clusters in KNbxTa1?xO3 Solid Solutions and Their Physical Properties
1999
Semi-empirical Hartree-Fock calculations using the intermediate neglect of the differential overlap (INDO) method, for self-ordered cubic symmetry clusters of seven Nb ions in KTaO 3 are performed with the aim of verifying the cluster model [1] of second component-induced phase transitions in ferroelectric perovskite matrices. It is shown that a seven-particle cluster in KTaO 3 :Nb has two types of states with different nature. Namely, a state with a dilatation combined with an off-center displacement of the central Nb ion in [111] directions in the cluster, and a state with a full-symmetric compression without any off-center effect. The consequences of such cluster structures on the multi-…
On the ferroelastic nature of the scheelite-to-fergusonite phase transition in orthotungstates and orthomolybdates
2009
Abstract New evidence supporting the ferroelastic nature of the pressure-induced scheelite-to-fergusonite phase transition in ABO 4 orthotungstates and orthomolybdates (A = Ca, Sr, Ba, Pb, Eu and B = W, Mo) has been obtained from the analysis of Raman spectroscopy data. In the studied scheelite-type compounds, one external translational mode of B g symmetry in the scheelite phase softens up to the transition pressure and then becomes a hard A g mode in the fergusonite high-pressure phase. However, other scheelite-type compounds not undergoing the scheelite-to-fergusonite transition do not show softening of the B g mode. The reported results have allowed us to establish a relationship betwee…
Pressure Tunable Electronic Bistability in Fe(II) Hofmann-like Two-Dimensional Coordination Polymer [Fe(Fpz)2Pt(CN)4]: A Comprehensive Experimental a…
2021
A comprehensive experimental and theoretical study of both thermal-induced spin transition (TIST) as a function of pressure and pressure-induced spin transition (PIST) at room temperature for the two-dimensional Hofmann-like SCO polymer [Fe(Fpz)2Pt(CN)4] is reported. The TIST studies at different fixed pressures have been carried out by magnetic susceptibility measurements, while PIST studies have been performed by means of powder X-ray diffraction, Raman, and visible spectroscopies. A combination of the theory of elastic interactions and numerical Monte Carlo simulations has been used for the analysis of the cooperative interactions in TIST and PIST studies. A complete (T, P) phase diagram…
Bidirectional photo-switching of the spin state of iron(II) ions in a triazol based spin crossover complex within the thermal hysteresis loop
2009
Abstract We have investigated the effect of short laser pulses (532 nm, 4 ns, −2 ) on the spin state of iron(II) ions in the spin crossover compound {[Fe II (Htrz) 2 (trz)](BF 4 )} within the hysteresis region of the high-spin (HS) to low-spin (LS) first-order thermal phase transition. Using Raman spectroscopy we have evidenced quasi-complete HS → LS as well as LS → HS photo-conversions, which can be induced by a single laser shot in the descending (351 K) and ascending (378 K) branches of the hysteresis loop, respectively. No effect has been observed, however, close to the center of the hysteresis loop even for repeated exposures.
Critical and tricritical singularities of the three-dimensional random-bond Potts model for large $q$
2005
We study the effect of varying strength, $\delta$, of bond randomness on the phase transition of the three-dimensional Potts model for large $q$. The cooperative behavior of the system is determined by large correlated domains in which the spins points into the same direction. These domains have a finite extent in the disordered phase. In the ordered phase there is a percolating cluster of correlated spins. For a sufficiently large disorder $\delta>\delta_t$ this percolating cluster coexists with a percolating cluster of non-correlated spins. Such a co-existence is only possible in more than two dimensions. We argue and check numerically that $\delta_t$ is the tricritical disorder, which se…
Decoupling lattice and magnetic instabilities in frustrated CuMnO$_2$
2021
The $A$MnO$_{2}$ delafossites ($A$=Na, Cu), are model frustrated antiferromagnets, with triangular layers of Mn$^{3+}$~spins. At low temperatures ($T_{N}$=65 K), a $C2/m \rightarrow P\overline{1}$ transition is found in CuMnO$_2$, which breaks frustration and establishes magnetic order. In contrast to this clean transition, $A$=Na only shows short-range distortions at $T_N$. Here we report a systematic crystallographic, spectroscopic, and theoretical investigation of CuMnO$_2$. We show that, even in stoichiometric samples, non-zero anisotropic Cu displacements co-exist with magnetic order. Using X-ray/neutron diffraction and Raman scattering, we show that high pressures acts to decouple the…
Monte Carlo study of the ising model phase transition in terms of the percolation transition of “physical clusters”
1990
Finite squareL×L Ising lattices with ferromagnetic nearest neighbor interaction are simulated using the Swendsen-Wang cluster algorithm. Both thermal properties (internal energyU, specific heatC, magnetization 〈|M|〉, susceptibilityχ) and percolation cluster properties relating to the “physical clusters,” namely the Fortuin-Kasteleyn clusters (percolation probability 〈P∞〉, percolation susceptibilityχp, cluster size distributionnl) are evaluated, paying particular attention to finite-size effects. It is shown that thermal properties can be expressed entirely in terms of cluster properties, 〈P∞〉 being identical to 〈|M|〉 in the thermodynamic limit, while finite-size corrections differ. In contr…
Electronic structure of CuAlO2 and CuScO2 delafossites under pressure
2007
The electronic structure of CuAlO 2 and CuScO 2 delafossites is investigated by means of optical absorption measurements under pressure and ab initio band structure calculations. Measurements are carried out on CuAlO 2 monocrystals and pulsed laser deposited CuAlO 2 and CuScO 2 thin films up to 20 GPa. CuAlO 2 is an indirect semiconductor that is stable in the pressure range explored here. The pressure coefficients of the indirect and direct gaps are found to be 15 meV/GPa and 2 meV/GPa respectively. CuScO 2 is a direct semiconductor and the pressure coefficient of the excitonic peak energy is -5.5 meV/GPa. Two reversible phase transitions are observed in CuScO 2 . At 13 GPa the delafossite…