Method for determining the electron and positron work function from a metal containing vacancies

A method is proposed that combines self-consistent solutions for a monovacancy in metal without regard to the outer surface and the solution in the stable jelly model for metal with homogeneous volume and flat surface, but a lowered vacancy density due to the presence of a superlattice of vacancy voids with relative concentration c _v . When using c _v as a small parameter, all energy characteristics are expanded in a functional series. Zero expansion terms relate to defect-free metal, and linear in c _v corrections are expressed in terms of its characteristics. Exact formulas allowing the consideration of the effect of vacancies on the electron and positron work function are derived. Characteristics are calculated at various temperatures for Al and Na by the Kohn–Sham method. The method application to spherical clusters is briefly discussed.     

Magnetic susceptibility of fine crystalline high-temperature YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>6.93</Subscript> superconductors. The role of nanoscale structural disordering

Static magnetic susceptibility χ(T) in the normal state (T_c ≤ T ≤ 400 K) and specific heat C(T) near temperature T_c of the transition to the superconducting state are experimentally studied for a series of fine crystalline samples of high-temperature YBa₂Cu₃O_y superconductor, having y and T_c close to optimal but differing in the degree of nanoscale structural disordering. It is shown that under the influence of structural disordering, there is enhancement of anomalous pseudogap behavior of the studied characteristics and a significant increase in the width of the pseudogap.     

Aggregation Behavior of Monomeric Surfactants and a Gemini Cationic Surfactant by NMR and Computer Simulation Data

Aggregation of decyltrimethylammonium bromide and cetyltrimethylammonium bromide (CTAB) in D₂O has been studied. Spin–lattice relaxation time and self-diffusion coefficient of surfactant molecules were measured at concentrations below and above surfactant critical micelle concentration. The aggregation properties of conventional surfactant, CTAB, examined by nuclear magnetic resonance (NMR) and molecular dynamic (MD) simulation, were compared with the properties of double-tail analog, N,N,N′,N′-tetramethyl-N,N′dihexadecyl-1,4-butan di-ammonium di-bromide (BCTA). Both NMR and computer simulation methods suggest that micellization is a stepwise process and the pre-micellar aggregates take place in a solution at concentration below critical micelle concentration. According to MD simulation Gemini surfactant, BCTA, forms worm-like micelles, whereas CTAB, which may be considered as its “monomer”, forms only elongated micelles.     

Weak ferromagnetism in BiFeO<Subscript>3</Subscript>-based multiferroics

The magnetic properties of the Bi_{1 ? x} Ln _x FeO₃ (Ln is a rare-earth ion), Bi_{1 ? x} A _x FeO_{3 ? x/2} (A is an alkali earth ion), and BiFe_{1 ? x} Ti _x O_{3 + δ} solid solutions in magnetic fields up to 14 T have been studied. The concentration ranges of the existence of the ferroelectric phase described by the space group R3c have been determined. It is shown that the substitution of the rare-earth ions for the Bi³⁺ ions leads to a sharp decrease in the critical fields inducing the metamagnetic transition from a modulated antiferromagnetic state to a weakly ferromagnetic one; however, the modulated structure in the concentration range of the R3c phase is mainly retained. The substitution of the alkali earth ions (x ～ 0.1) for the bismuth ions leads to the total destruction of the modulated structure and to the implementation of the weakly ferromagnetic state within the R3c phase. A homogeneous weakly ferromagnetic state has been revealed when the Ti⁴⁺ ions (x = 0.1) are substituted for the Fe³⁺ ions in the ferroelectric R3c phase.     

Anomalous influence of spin fluctuations on the heat capacity and entropy in a strongly correlated helical ferromagnet MnSi

The influence of spin fluctuations on the thermodynamic properties of a helical ferromagnet MnSi has been investigated in the framework of the Hubbard model with the electronic spectrum determined from the first-principles LDA + U + SO calculation, which is extended taking into account the Hund coupling and the Dzyaloshinskii–Moriya antisymmetric exchange. It has been shown that the ground state of the magnetic material is characterized by large zero-point fluctuations, which disappear at the temperature T* (<T _c is the temperature of the magnetic phase transition). In this case, the entropy abruptly increases, and a lambdashaped anomaly appears in the temperature dependence of the heat capacity at constant volume (C _V (T)). In the temperature range T* < T < T _c , thermal fluctuations lead to the disappearance of the inhomogeneous magnetization. The competition between the increase in the entropy due to paramagnon excitations and its decrease as a result of the reduction in the amplitude of local magnetic moments, under the conditions of strong Hund exchange, is responsible for in the appearance of a “shoulder” in the dependence C _V (T)).     

Dielectric properties of betaine phosphite-betaine phosphate solid-solution crystals in the improper ferroelastic phase

Temperature dependences of dielectric permittivity in the improper ferroelastic phase, including the region of the improper ferroelastic phase transition occurring at T=T_c1, were studied in the betaine phosphite-betaine phosphate solid-solution crystals. At a betaine phosphate (BP) concentration of 10%, the phase transition temperature T_c1 was found to shift toward higher temperatures by about 5 K compared to betaine phosphite (BPI) crystals, where T_c1=355 K. The phase transition remains in the vicinity of the tricritical point. As the BP concentration in BPI is increased, the dielectric anomaly at T=T_c1 weakens substantially compared to pure BPI. The nonlinear temperature dependence of reciprocal dielectric permittivity in the improper ferroelastic phase of BPI_xBP_1?x crystals is described in the concentration region 0.9≤x≤1 in terms of a thermodynamic model taking into account the biquadratic relation of the nonpolar order parameter of the improper ferroelastic phase transition to polarization. The decrease in the ferroelectric phase transition temperature T_c1 (or in the temperature of loss of improper ferroelastic phase stability) with increasing BP concentration in the above limits is due to the decreasing effect of the nonpolar mode on the polar instability, which is accompanied by a weakening of the dielectric anomaly at T=T_c1     

Enhancement of pseudogap anomalies induced by nanoscale structural inhomogeneity in YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>6.93</Subscript> high-<Emphasis Type="Italic">T</Emphasis><Subscript>c</Subscript> superconductor

The magnetization M(H) in the superconducting state, dc magnetic susceptibility χ(T) in the normal state, and specific heat C(T) near the superconducting transition temperature T _c have been measured for a series of fine-crystalline YBa₂Cu₃O _y samples having nearly optimum values of y = 6.93 ± 0.3 and T _c = (91.5 ± 0.5) K. The samples differ only in the degree of nanoscale structural inhomogeneity. The characteristic parameters of superconductors (the London penetration depth and the Ginzburg–Landau parameter) and the thermodynamic critical field H _c are determined by the analysis of the magnetization curves M(H). It is found that the increase in the degree of nanoscale structural inhomogeneity leads to an increase in the characteristic parameters of superconductors and a decrease in H _c(T) and the jump of the specific heat ΔC/T _c. It is shown that the changes in the physical characteristics are caused by the suppression of the density of states near the Fermi level. The pseudogap is estimated by analyzing χ(T). It is found that the nanoscale structural inhomogeneity significantly enhances and probably even creates the pseudogap regime in the optimally doped high-T _c superconductors.     

The anisotropic conductivity of two-dimensional electrons on a half-filled high Landau evel

We study the conductivity of two-dimensional interacting electrons on the half-filled Nth Landau level with N?1 in the presence of quenched disorder. The existence of the unidirectional charge-density wave state at temperature T<T _c , where T _c is the transition temperature, leads to the anisotropic conductivity tensor. We find that the leading anisotropic corrections are proportional to (T _c ?T)/T _c just below the transition, in accordance with the experimental findings. Above T _c , the correlations corresponding to the unidirectional charge-density wave state below T _c result in corrections to the conductivity proportional to \(\sqrt {{{T_c } \mathord{\left/ {\vphantom {{T_c } {T - T_c }}} \right. \kern-\nulldelimiterspace} {T - T_c }}} \).     

Phase transition in a self-repairing random network

We consider a network the bonds of which are being sequentially removed; this is done at random but conditioned on the system remaining connected (self-repairing bond percolation, SRBP). This model is the simplest representative of a class of random systems for which the formation of isolated clusters is forbidden. It qualitatively describes the process of fabrication of artificial porous materials and degradation of strained polymers. We find a phase transition at a finite concentration of bonds p=p _c , at which the backbone of the system vanishes; for all p< p _c , the network is a dense fractal.     

Using a chiral anomaly to determine the number of colors

The N_c dependence of PPPγ vertices, where P is a pseudoscalar meson and N_c is the number of colors, is analyzed with allowance for the N_c dependence of the quark charges. It is shown that the reactions Kγ → Kπ and π^±γ → π^±η and the decay η → π⁺π^?γ are the best processes for determining N_c. The cross section σ(π^?γ → π^?η) as measured by using the VES facility at IHEP agrees with the value of N_c=3.     

On a modified separation method for nuclear potentials

In order to obtain a regular but energy-dependent nuclear potential, the following modification of the separation method ofMoszkowski andScott is used: we replace the nuclear potentialv _c (r) by a long-range potentialv _l (r)=v _c (r) Θ(r? d ₀) together with a short-range energy dependent repulsionv _s =h(k) Θ(r _c ?r), whered ₀ is the separation distance for vanishing energy andr _c is the hard-core radius. The potentialv=v _s +v _l (r) is fitted to theS-wave scattering data and the binding energy of the deuteron.h(k) turns out to be almost proportional to the scattering energyE _rel for energiesE _rel<150 MeV.     

Why <Emphasis Type="Italic">X</Emphasis>(3872) is not a molecule

We discuss the scenario where the X(3872) resonance is the \(c\bar c\) = χ_c1(2P) charmonium which “sits on” the D*⁰\({\bar D^0}\) threshold. We explain the shift of the mass of the X(3872) resonance with respect to the prediction of a potential model for the mass of the χ_c1(2P) charmonium by the contribution of the virtual D*\(\bar D\) + c.c. intermediate states into the self energy of the X(3872) resonance. This allows us to estimate the coupling constant of the X(3872) resonance with the D*⁰\({\bar D^0}\) channel, the branching ratio of the X(3872) → D*⁰\({\bar D^0}\) + c.c. decay, and the branching ratio of the X(3872) decay into all non-D*⁰\({\bar D^0}\) + c.c. states. We predict a significant number of unknown decays of X(3872) via two gluon: X(3872) → gluongluon → hadrons. We suggest a physically clear program of experimental researches for verification of our assumption.     

Effect of hydrolysis degree and mass molecular weight on the structure and properties of PVA films

In this work, we aim to analyze the variation of structural, thermal, and dielectric properties of polyvinyl alcohol (PVA) films by varying the molecular weight (Mw) and the hydrolysis degree (HD). The XRD study revealed the improvement of the crystallinity degree by the increase of HD or the decrease of Mw. The DSC study showed the decrease of the molecular mobility with the increase of either the hydrolysis degree or the molecular weight. The dielectric measurements showed four dielectric processes attributed to electrode/sample polarization, α _a-relaxation, α _c-relaxation, and β-relaxation. The activation energy attributed to α _a-relaxation and α _c-relaxation, increase with the increase of the molecular weight Mw, and the decrease of HD. The Ac conductivity is well fitted to the universal Jonsher law in the frequency range where the electrode/sample polarization can be neglected.     

The c-axis fluctuation conductivity in layered superconductors in a strong electric field under a magnetic field

The effect of a high electric field on the c-axis fluctuation conductivity in layered superconductors near the superconducting transition is investigated by the time-dependent Ginzburg-Landau equation. The c-axis fluctuation conductivity is calculated in self-consistent Gaussian approximation for an arbitrarily strong electric field and a magnetic field perpendicular to the layers. Our results include all Landau levels and have refined analytical form. The results in linear response are in good agreement with the experimental data in a wide region around T _c in high T _c superconductor. We also show that high electric fields can be effectively used to suppress the c-axis fluctuation conductivity in high-temperature superconductors.     

Switching of spontaneous electric polarization in the DyMnO<Subscript>3</Subscript> multiferroic

For the DyMnO₃ multiferroic with a modulated magnetic structure, switching of its spontaneous electric polarization (P ‖ c axis) near the ferroelectric transition (T < T _FE ～ 20 K) is revealed by measuring the dielectric hysteresis loops. It is found that the coercive field strongly increases as the temperature decreases (up to 2.6 kV/mm at 17.6 K). The values obtained for the spontaneous polarization are found to agree well with the data obtained from pyroelectric measurements. In addition, anomalies are observed in the temperature dependences of the spontaneous polarization P _c , dielectric constant ? _c , and magnetic susceptibility x _b at T ～ 6 K; these anomalies are attributed to the antiferromagnetic ordering of the Dy³⁺ ions.     

On the effect of heating and cooling rates on the melting and crystallization of metal nanoclusters

The effect of heating and cooling rates on melting (T_m) and crystallization (T_c) temperatures of metal nanoclusters is investigated in terms of the isothermal molecular dynamics. We report on the results obtained for nickel nanoclusters, although analogous results were also obtained for gold and aluminum nanoclusters. It is found that T_m increases, while T_c decreases with increasing heating and cooling rates, both T_m and T_c tending to the same value for heating and cooling rates tending to zero. The results indicate that the hysteresis of melting and crystallization of nanoparticles must be completely due to nonequilibrium conditions of heating and cooling. The transition of Ni nanoclusters to the amorphous state begins at very high cooling rates exceeding 10 TK/s.     

Dimension of mesogenic molecules as atomic clusters

The problem regarding the mass dimension D of mesogenic molecules as atomic clusters is formulated and solved using computer simulation and analytical calculations. For a large number of compounds belonging to different chemical classes, it is shown that the cores of discotic lacunar (rodlike, lathlike) molecules forming nematic or columnar discotic (calamitic) phases have a fractional dimension 1 < D _c < 2 (D _c ≈ 1). The dependences of the dimension D _c on the symmetry, the conformation, and the structural-chemical features of the molecular core are determined. It is demonstrated that, in the region of side flexible chains in molecules of both types, the dimension D _ch can be either smaller or larger than unity, depending on the chain conformation. An analytical expression accounting for the results of numerical experiments is obtained for the dimension D _ch .     

Electron transport,penetration depth,and the upper critical magnetic field in ZrB<Subscript>12</Subscript> and MgB<Subscript>2</Subscript>

We report on the synthesis and measurements of the temperature dependences of the resistivity ρ, the penetration depth λ, and the upper critical magnetic field H_c2, for polycrystalline samples of dodecaboride ZrB₁₂ and diboride MgB₂. We conclude that ZrB₁₂ behaves as a simple metal in the normal state with the usual Bloch-Grüneisen temperature dependence of ρ(T) and with a rather low resistive Debye temperature T_R = 280 K (to be compared to T_R = 900 K for MgB₂). The ρ(T) and λ(T) dependences for these samples reveal a superconducting transition in ZrB₁₂ at T_c = 6.0 K. Although a clear exponential λ(T) dependence in MgB₂ thin films and ceramic pellets was observed at low temperatures, this dependence was almost linear for ZrB₁₂ below T_c/2. These features indicate an s-wave pairing state in MgB₂, whereas a d-wave pairing state is possible in ZrB₁₂. In disagreement with conventional theories, we found a linear temperature dependence, of H_c2(T) for ZrB₁₂ (H_c2(0) = 0.15 T).     

New superconductivity dome in LaFeAsO1−xFx far away from magnetism and accompanied by structural transition

We report on the discovery and novel physics of a new superconductivity dome in LaFeAsO_1?xF_x with high-doping rate (0.25 ≤x≤0.75) synthesized by using the high-pressure technique. The maximal critical temperature T_c = 30 K peaked at x_opt = 0.5 ～0.55, which is even higher than that at x≤ 0.2. By nuclear magnetic resonance (NMR), we find that the new superconducting dome is far away from a magnetically ordered phase without low-energy magnetic fluctuations. Instead, NMR and transmission electron microscopy measurements indicate that a C4 rotation symmetry-breaking structural transition takes place for x> 0.5 above T_c. The electrical resistivity shows a temperature-linear behavior around the doping level where the crystal transition temperature extrapolate to zero and T_c is the maximal, suggesting the importance of quantum fluctuations associated with the structural transition. Our results point to a new paradigm of high temperature superconductivity.     

Electrical and Magnetic Properties of Pb and In Nanofilaments in Asbestos near the Superconducting Transition

Bulk nanocomposites based on superconducting metals Pb and In embedded into matrices of natural chrysotile asbestos with the nanotube internal diameter d ~ 6 nm have been fabricated and studied. The low-temperature electrical and magnetic properties of the nanocomposites demonstrate the superconducting transition with the transition critical temperature T_c ≈ (7.18 ± 0.02) K for the Pb–asbestos nanocomposite (this temperature is close to T_{c bulk} = 7.196 K for bulk Pb). The electrical measurements show that In nanofilaments in asbestos have T_c ~ 3.5–3.6 K that is higher than T_{c bulk} = 3.41 K for bulk In. It is shown that the temperature smearing of the superconducting transition in the temperature dependences of the resistance R(T) ΔT ≈ 0.06 K for the Pb–asbestos and ΔT ≈ 1.8 K for the In–asbestos are adequately described by the fluctuation Aslamazov–Larkin and Langer–Ambegaokar theories. The resistive measurements show that the critical magnetic fields of the nanofilaments extrapolated to T = 0 K are H_c(0) ~ 47 kOe for Pb in asbestos and H_c(0) ~ 1.5 kOe for In in asbestos; these values are significantly higher than the values for the bulk materials (H\(H_{\rm{c}}^{\rm{bulk}}\) = 803 Oe for Pb and \(H_{\rm{c}}^{\rm{bulk}}\) = 285 Oe for In). The results of the electrical measurements for Pb?asbestos and In–asbestos agree with the data for the magnetic-field dependences of the magnetic moment in these nanocomposites.