The “screening phase transitions” in the two-dimensional Coulomb gas

The Mayer series of a Coulomb gas with fixed ultraviolet cutoff is studied in two dimensions. In particular, we show the existence of infinitely many thresholdsT _n =(e ²/8k)(1-1/2n)^–1 k=Boltzmann's constant,e=electric charge,n=1, 2,..., which are conjectured to reflect a sequence of transitions from pure multipole phase (the Kosterlitz-Thouless region) to a plasma phase (the Debye screening region) via an infinite number of intermediate phases. Mathematically we prove that the Mayer series' coefficients of order up to 2n are finite if the temperatureT is <T _n. ForT<T all the coefficients are finite and the gas can be formally interpreted as a multipole gas with multipoles with finite activity.The first author was supported in part by NSF grant No. MCS-8108814 (A03).     

Noether and some other dynamical symmetries in Kantowski–Sachs model

The forms of coupling of the scalar field with gravity, appearing in the induced theory of gravity, and that of the potential are found in the Kantowski–Sachs model under the assumption that the Lagrangian admits Noether symmetry. The form thus obtained makes the Lagrangian degenerate. The constrained dynamics thus evolved due to such degeneracy has been analysed and a solution has also been presented which is inflationary in behaviour. It has further been shown that there exists other technique to explore the dynamical symmetries of the Lagrangian simply by inspecting the field equations. Through this method Noether along with some other dynamical symmetries are found which do not make the Lagrangian degenerate.     

Linear–quadratic order parameter coupling and multiferroic phase transitions

The coupling between order parameters in systems with several instabilities has been analysed within Landau theory. The dominant term considered in this paper is linear in one order parameter and quadratic in the second order parameter ~QP2; other coupling terms have been treated previously. Typical examples for Q are proper or pseudo-proper ferroelastic instabilities, while P might be octahedral tilting in a perovskite, (anti-)ferromagnetic ordering or (anti-)ferroelectric soft modes. Coupling of this type is common in fluorites, Verwey transitions, Jahn-Teller systems, pnictide superconductors, etc. Analytical solutions and characteristic phase diagrams of the stable configurations are compiled. The coupling can lead to stepwise phase transitions even when the uncoupled systems would show continuous transitions. Mixed phases are common, so that many 'intermediate phases' described in the literature may be the result of this linear-quadratic coupling.     

Pressure induced magnetic and semiconductor–metal phase transitions in Cr_2MoO_6

We investigate magnetic ordering and electronic structures of Cr_2MoO_6under hydrostatic pressure. To overcome the band gap problem, the modified Becke and Johnson exchange potential is used to investigate the electronic structures of Cr_2MoO_6. The insulating nature at the experimental crystal structure is produced, with a band gap of 1.04 eV, and the magnetic moment of the Cr atom is 2.50 μB, compared to an experimental value of about 2.47 μB. The calculated results show that an antiferromagnetic inter-bilayer coupling–ferromagnetic intra-bilayer coupling to a ferromagnetic inter-bilayer coupling–antiferromagnetic intra-bilayer coupling phase transition is produced with the pressure increasing. The magnetic phase transition is simultaneously accompanied by a semiconductor–metal phase transition. The magnetic phase transition can be explained by the Mo–O hybridization strength, and ferromagnetic coupling between two Cr atoms can be understood by empty Mo-d bands perturbing the nearest O-p orbital.     

Structures and phase transitions in some Pb2B′B″O6 complex perovskite-type compounds

In order to study the influence of substitutions and of the ionic radii of B’ ions on structure and phase transitions, we present some physical measurements and data on Pb₂B′B″O₆ (B”=W, Nb, Mo) complex perovskite compounds. By Mn and Fe substitution for Mg in Pb₂MgWO₆ compound a change in lattice parameters and shift of antiferroelectric transition temperature is observed. It appears that in all three series of compounds a linear dependence between ferroelectric or antiferroelectric transition temperature and B’ ionic radii is observed.     

The keto–enol equilibrium and thermal conversion kinetics of 2- and 4-hydroxyacetophenone in the gas phase: a DFT study

Keto–enol tautomeric equilibrium and the mechanism of thermal conversion of 2- and 4-hydroxyacetophenone in gas phase have been studied by means of electronic structure calculations using density functional theory (DFT). A topological analysis of electron density evidence that the structure of keto and enol forms of 2-hydroxyacetophenone are stabilised by a relatively strong intramolecular hydrogen bond. 2- and 4-hydroxyacetophenone undergo deacetylation reactions yielding phenol and ketene. Two possible mechanisms are considered for these eliminations: the process takes place from the keto form (mechanism A), or occurs from the enolic form of the substrate (mechanism B). Quantum chemical calculations support the mechanism B, being found a good agreement with the experimental activation parameters. These results suggest that the rate-limiting step is the reaction of the enol through a concerted, non-synchronous, semi-polar, four-membered cyclic transition state (TS). The most advanced reaction coordinate in the TS is the rupture of O₁···H₁ bond, with an evolution in the order of 79.7%–80.9%. Theoretical results also suggest a three-step mechanism for the phenyl acetate formation from 2-hydroxyacetophenone.     

Thermally induced spin polarization and thermal conductivities in a spin–orbit-coupled two-dimensional electron gas

The thermal conductivities and spin polarization induced by the temperature gradient are investigated in a Rashba spin–orbit-coupled two-dimensional electron gas. In this spin–orbit-coupled system in the presence of nonmagnetic or magnetic electron–impurity scattering, the Wiedemann–Franz law still holds. However, the spin polarization induced by the temperature gradient strongly depends on the property of impurities. The components of spin accumulation both perpendicular and parallel to the direction of the temperature gradient, and the thermally induced charge Hall conductivity may be nonzero for magnetic disorders.     

Nonextensive nuclear liquid–gas phase transition

We study an effective relativistic mean-field model of nuclear matter with arbitrary proton fraction at finite temperature in the framework of nonextensive statistical mechanics, characterized by power-law quantum distributions. We investigate the presence of thermodynamic instability in a warm and asymmetric nuclear medium and study the consequent nuclear liquid–gas phase transition by requiring the Gibbs conditions on the global conservation of baryon number and electric charge fraction. We show that nonextensive statistical effects play a crucial role in the equation of state and in the formation of mixed phase also for small deviations from the standard Boltzmann–Gibbs statistics.     

X-ray photoelectron studies of changes in the electronic structure upon phase transitions in Co–Ni and Co–Fe alloys

The changes in the electronic structure of Co–Ni and Co–Fe systems upon phase transitions are studied. X-ray photoelectron study of the valence-band spectra and the parameters of the multiplet splitting of Co, Ni and Fe 3s spectra is carried out at different temperatures. It is established that the ordering–separation phase transition in Co–Ni alloys takes place in the temperature range of 600–700°C. As opposed to Co–Ni alloys, in the Fe–Co alloy, ordering–separation–ordering phase transitions are observed. High-temperature ordering of the Fe₅₀Co₅₀ alloy is observed above 1200°C. The transition from ordering to separation is shown to lead to changes in the d electron spectra of the valence band and in the parameters of the multiplet splitting of the 3s spectra.     

Unconventional large-N limit of the Gaussian effective potential and the phase transition in λφ 4 theory

In the conventional large-N limit the coupling constant is required to scale as 1/N. While the Gaussian effective potential (GEP) is known to contain the exact result in this limit, it shows a phase transition only when 1/N (in units of the renormalized mass in the symmetric vacuum). Here we determine the asymptotic behaviour, asN, of and other quantities at the phase transition of the GEP. We find _crit to be finite in 0+1 dimensions; of order 1/lnN in 1+1 dimensions; 1/N ^1/3 in 2+1 dimensions; and in 3+1 dimensions. The GEP's first-order phase transition is shown to become asymptotically second-order in 1+1 dimensions and below. We also discuss non-integer dimensions and the approach to the non-trivial autonomous theory in 3+1 dimensions.     

Are there phase transitions in information space?

The interplay between two basic quantities--quantum communication and information--is investigated. Quantum communication is an important resource for quantum states shared by two parties and is directly related to entanglement. Recently, the amount of local information that can be drawn from a state has been shown to be closely related to the nonlocal properties of the state. Here we consider both formation and extraction processes, and analyze informational resources as a function of quantum communication. The resulting diagrams in information space allow us to observe phaselike transitions when correlations become classical.     

Thermal-expansion and magnetostriction anomalies in phase transitions in La1−x SrxMnO3

A study is reported on phase transitions in the La_1?x Sr_xMnO₃ system, both spontaneous and induced by a pulsed magnetic field of up to 250 kOe, accompanied by anomalies in magnetoelastic properties. The temperatures of the polaron (charge) and magnetic ordering, as well as those of structural transitions, are observed to be in good agreement with the results obtained by other methods. Jumps in the field dependence of longitudinal and transverse magnetostriction associated with field-induced orbital ordering have been found. A strong temperature dependence of the corresponding threshold fields is observed.     

Mössbauer study of dynamic and phase transitions in an aqueous film–nanoclay surface system

Phase transitions in aqueous films adsorbed in clays are studied and reported for the first time. Analysis of spectral parameters allows the orto/spin-isomer pair ratio in frozen water to be established, and the Mössbauer probes to be localized on the alumosilicate surface. The temperature transformation of the spectra is explained using models that qualitatively describe first- and second-order phase transitions.     

Fluid–triangular solid phase transitions in a system of two-dimensional nematic quadrupoles

Density functional theory of freezing is used to study the phase transitions in a system of spherical colloidal particles dispersed in nematic host confined to two dimensions. We have considered both the one-component and two-component systems of the colloidal dispersions. Particles are assumed to interact via director distortion-mediated purely repulsive potential which scales as the fifth power of the inverse interparticle separation. The pair correlation functions needed as input information in the density functional theory are calculated by solving Roger–Young integral equation theory. In one-component system, a triangular crystalline phase is found to be stable. On the other hand, considering the freezing of the fluid phase of the binary mixture into a substitutionally disordered triangular solid, the temperature–composition phase diagram is found to have spindle shape for the ratio of quadrupole moment of the particles of the components being 0.9 and 0.8. The phase diagram changes to an azeotrope at a ratio 0.7. The results are verifiable in real-space experiments on nematic quadrupoles confined to a two-dimensional plane.