Almost mobility edges and the existence of critical regions in one-dimensional quasiperiodic lattices

We study a one-dimensional quasiperiodic system described by the Aubry–André model in the small wave vector limit and demonstrate the existence of almost mobility edges and critical regions in the system. It is well known that the eigenstates of the Aubry–André model are either extended or localized depending on the strength of incommensurate potential V being less or bigger than a critical value V _c , and thus no mobility edge exists. However, it was shown in a recent work that for the system with V < V _c and the wave vector α of the incommensurate potential is small, there exist almost mobility edges at the energy E _c±, which separate the robustly delocalized states from “almost localized” states. We find that, besides E _c±, there exist additionally another energy edges E _c′±, at which abrupt change of inverse participation ratio (IPR) occurs. By using the IPR and carrying out multifractal analyses, we identify the existence of critical regions among |E _c±|?≤?|E|?≤?|E _c′±| with the mobility edges E _c± and E _c′± separating the critical region from the extended and localized regions, respectively. We also study the system with V > V _c , for which all eigenstates are localized states, but can be divided into extended, critical and localized states in their dual space by utilizing the self-duality property of the Aubry–André model.     

Spectrum of coherent transition radiation generated by a modulated electron beam

The spectrum of coherent transition radiation has been recorded with the use of a Martin–Puplett interferometer. It has been shown that the spectrum includes monochromatic lines that are caused by the modulation of an electron beam with the frequency of an accelerating radio-frequency field ν_RF and correspond to resonances at ν _k = kν_RF k ≤ 10. To determine the length of an electron bunch from the measurement of the spectrum from a single bunch, it is necessary to use a spectrometer with the resolution Δν_sp > ν_RF.     

Molecular dynamics calculations of anharmonic properties of the vibrational spectrum of BCC zirconium under pressure

The structural stability and lattice dynamics of the high-pressure bcc phase of Zr at a constant temperature T = 500 K are studied for various volumes using molecular dynamics simulation with the Animalu pair pseudopotential. Dispersion curves of the vibrational spectrum calculated by the molecular dynamics method for various volumes are compared to the phonon spectrum obtained in the harmonic approximation. It is demonstrated that, as the volume decreases, all frequencies of the vibrational spectrum increase gradually and bcc zirconium remains strongly anharmonic along all high-symmetry directions of the Brillouin zone over the entire range of volumes studied. The strongly anharmonic N _T1 phonon is significantly softened near the point of structural instability of bcc-Zr at T = 500 K and V = 0.87V ₀. As the volume decreases to V = 0.73V ₀ under pressure, the anharmonic corrections for this phonon decrease by almost an order of magnitude and the phonons near the H point of the Brillouin zone become anharmonic. The damping of the T ₁ phonon mode along the [110] direction is calculated as a function of pressure.     

Growth of (GaAs)<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>(ZnSe)<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> solid solution films and investigation of their structural and some photoelectric properties

Single-crystal films of the substitutional solid solution (GaAs)_{1 ? x} (ZnSe) _x (0 ≤ x ≤ 0.80) on GaAs substrates have been grown using liquid phase epitaxy. The X-ray diffraction patterns, photoluminescence spectra, and current-voltage characteristics of the n-(GaAs)-p-(GaAs)_{1 ? x} (ZnSe) _x (0 ≤ x ≤ 0.80) heterostructures prepared have been investigated. The lattice parameters of the film a _f = 5.6544 Å and the substrate a _s = 5.6465 Å have been determined, and the profile of the molecular distribution of the solid solution components has been obtained. The photoluminescence spectrum of the (GaAs)_{1 ? x} (ZnSe) _x (0 ≤ x ≤ 0.80) films exhibits a narrow peak (against the background of the broad luminescence band) with a maximum in the luminescence intensity at a photon energy of 2.67 eV due to the presence of Zn-Se bonds in the structure (ZnSe is covalently bonded to the tetrahedral lattice of the GaAs matrix). It has been shown that the direct branch of the current-voltage characteristics of the structures under investigation is described by an exponential dependence I = I ₀exp(qV/ckT) at low voltages (V > 0.3 V) and by a power-law dependence I ～ V ^α with exponents α = 4 at V = 0.4–0.8 V, α = 2 at V = 0.8–1.4 V, and α = 1.5 at V > 2 V. The experimental results have been explained in the framework of the double-injection model for the n-p-p ⁺ structure under the condition that the concentration distribution of nonequilibrium charge carriers has a minimum.     

Measurements of the isotopic composition of UF<Subscript>6</Subscript> according to the fine structure of the IR absorption spectrum in the ν<Subscript>1</Subscript> + ν<Subscript>3</Subscript> band

Absorption spectra of the Q-branch of the ν₁ + ν₃ vibrational–rotational band of uranium hexafluoride (UF₆) recorded in a range of 1290.0–1292.5 cm^–1 using a laser spectrometer based on a quantum cascade laser have been studied. The spectra of samples with a natural isotopic composition (0.7% U²³⁵), an enriched sample (90% U²³⁵), and their gas mixtures (2, 5, and 20% U²³⁵) in a pressure range of 10–70 Torr at a temperature of T = 296 K have been analyzed. The experiments have revealed a highly reproducible fine structure of the recorded spectra. Periodic singularities in the fine-structure spectra have been interpreted as a manifestation of hot band transitions near the Q-branch. Anharmonicity constants X ₂₁, X ₃₁, and X ₃₂ and their combinations X _i1 + X _i3 (i = 4, 5, 6) have been determined. The characteristic features in the fine-structure spectra and the initial spectrum have been used to determine the isotopic composition of enriched UF₆ samples.     

A statistical model of a metallic inclusion in semiconducting media

The atomic dynamics of the binary Al_100–xCu_x system is simulated at a temperature T = 973 K, a pressure p = 1.0 bar, and various copper concentrations x. These conditions (temperature, pressure) make it possible to cover the equilibrium liquid Al_100–xCu_x phase at copper concentrations 0 ≤ x ≤ 40% and the supercooled melt in the concentration range 40% ≤ x ≤ 100%. The calculated spectral densities of the time correlation functions of the longitudinal \({\tilde C_L}\)(k, ω) and transverse \({\tilde C_T}\)(k, ω) currents in the Al_100–xCu_x melt at a temperature T = 973 K reveal propagating collective excitations of longitudinal and transverse polarizations in a wide wavenumber range. It is shown that the maximum sound velocity in the v_L(x) concentration dependence takes place for the equilibrium melt at an atomic copper concentration x = 10 ± 5%, whereas the supercooled Al_100–xCu_x melt saturated with copper atoms (x ≥ 40%) is characterized by the minimum sound velocity. In the case of the supercooled melt, the concentration dependence of the kinematic viscosity ν(x) is found to be interpolated by a linear dependence, and a deviation from the linear dependence is observed in the case of equilibrium melt at x < 40%. An insignificant shoulder in the ν(x) dependence is observed at low copper concentrations (x < 20%), and it is supported by the experimental data. This shoulder is caused by the specific features in the concentration dependence of the density ρ(x).     

Raman scattering in sodium nitrite crystals near the phase transition

Optical Raman spectra of a ferroelectric sodium nitrite crystal have been detected in a wide spectrum range at various temperatures, including the region of the ferroelectric phase transition. A manifestation of a transverse soft polar mode of the A ₁(z) type responsible for the ferroelectric phase transition has been discovered in the spectrum at room temperature. This mode has been found to become overdamped even far from the ferroelectric phase transition temperature. This mode also appears as a central peak under heating. It has been found that the pseudoscalar mode of the A ₂ type has the highest intensity in the Raman spectrum of sodium nitrite. The frequency corresponding to the maximum intensity of this mode in the Raman spectrum varies from 130 cm^–1 at 123 K to 106 cm^–1 at T = 513 K. A fair agreement of the experimental data for the A ₁(z) mode with the Lyddane–Sachs–Teller relation has been established. The polariton curves for the A ₁(z) polar mode and the dispersion curves for axinons has been plotted.     

Thermal conductivity of partially graphitized biocarbon obtained by carbonization of medium-density fiberboard in the presence of a Ni-based catalyst

The thermal conductivity k and resistivity ρ of biocarbon matrices, prepared by carbonizing medium-density fiberboard at T _carb = 850 and 1500°C in the presence of a Ni-based catalyst (samples MDF-C( Ni)) and without a catalyst (samples MDF-C), have been measured for the first time in the temperature range of 5–300 K. X-ray diffraction analysis has revealed that the bulk graphite phase arises only at T _carb = 1500°C. It has been shown that the temperature dependences of the thermal conductivity of samples MDFC- 850 and MDF-C-850(Ni) in the range of 80–300 K are to each other and follow the law of k(T) ～ T ^1.65, but the use of the Ni-catalyst leads to an increase in the thermal conductivity by a factor of approximately 1.5, due to the formation of a greater fraction of the nanocrystalline phase in the presence of the Ni-catalyst at T _carb = 850°C. In biocarbon MDF-C-1500 prepared without a catalyst, the dependence is k(T) ～ T ^1.65, and it is controlled by the nanocrystalline phase. In MDF-C-1500(Ni), the bulk graphite phase formed increases the thermal conductivity by a factor of 1.5–2 compared to the thermal conductivity of MDF-C-1500 in the entire temperature range of 5–300 K; k(T = 300 K) reaches the values of ～10 W m^–1 K^–1, characteristic of biocarbon obtained without a catalyst only at high temperatures of T _carb = 2400°C. It has been shown that MDF-C-1500(Ni) in the temperature range of 40?300 K is characterized by the dependence, k(T) ～ T ^1.3, which can be described in terms of the model of partially graphitized biocarbon as a composite of an amorphous matrix with spherical inclusions of the graphite phase.     

Electronic structure and energies of interatomic bonds in the TiSi<Subscript>2</Subscript> compound with a <Emphasis Type="Italic">C</Emphasis>49 crystal structure

Full-electron calculations of the electronic structure of the TiSi₂ compound in the structural modification C49 are performed using the augmented-plane-wave method. The total energy, the electronic band structure, and the density of states are calculated for an extended translational unit cell Ti₄Si₈, which is formed during the growth of a silicon nanowire on a p-Si substrate. Calculations are also carried out for two orthorhombic unit cells of the nonstoichiometric compositions Ti₃Si₉ and Ti₅Si₇. The energies of the interatomic bonds are determined to be E _Si-Si = 1.8 eV, E _Ti-Ti = 2.29 eV, and E _Ti-Si = 4.47 eV. The dependence of the total energy of the unit cell E _tot(V) on the unit cell volume V is obtained by optimizing the unit cell volume. The bulk modulus B ₀ = 132 GPa is determined from the Murnaghan equation of state for solids and the dependence E _tot (V). This value of the bulk modulus is used to estimate the activation energy for interstitial diffusion of silicon atoms Q _i(Si) ≈ 0.8 eV.     

Comparative study of solute trapping and Gibbs free energy changes at the phase interface during alloy solidification under local nonequilibrium conditions

An analytical model has been developed to describe the influence of solute trapping during rapid alloy solidification on the components of the Gibbs free energy change at the phase interface with emphasis on the solute drag energy. For relatively low interface velocity V < V _D , where V _D is the characteristic diffusion velocity, all the components, namely mixing part, local nonequilibrium part, and solute drag, significantly depend on solute diffusion and partitioning. When V ≥ V _D , the local nonequilibrium effects lead to a sharp transition to diffusionless solidification. The transition is accompanied by complete solute trapping and vanishing solute drag energy, i.e. partitionless and “dragless” solidification.     

Effect of incommensurate potential on the resonant tunneling through Majorana bound states on the topological superconductor chains

We study the transport through the Kitaev chain with incommensurate potentials coupled to two normal leads by the numerical operator method. We find a quantized linear conductance of e ² / h, which is independent to the disorder strength and the gate voltage in a wide range, signaling the Majorana bound states. While the incommensurate potential suppresses the current at finite voltage bias, and then narrows the linear response regime of the I-V curve which exhibits two plateaus corresponding to the superconducting gap and the band edge, respectively. The linear conductance abruptly drops to zero as the disorder strength reaches the critical value 2g _s + 2Δ with Δ the p-wave pairing amplitude and g _s the hopping between neighbor sites, corresponding to the transition from the topological superconducting phase to the Anderson localized phase. Changing the gate voltage also causes an abrupt drop of the linear conductance by driving the chain into the topologically trivial superconducting phase, whose I-V curve exhibits an exponential shape.     

Integral intensities of absorption bands of silicon tetrafluoride in the gas phase and cryogenic solutions: Experiment and calculation

The spectral characteristics of the SiF₄ molecule in the range 3100–700 cm^?1, including the absorption range of the band ν₃, are studied in the gas phase at P = 0.4–7 bar and in solutions in liquefied Ar and Kr. In the cryogenic solutions, the relative intensities of the vibrational bands, including the bands of the isotopically substituted molecules, are determined. The absorption coefficients of the combination bands 2ν₃, ν₃ + ν₁, ν₃ + ν₄, and 3ν₄ are measured in the solution in Kr. In the gas phase of the one-component system at an elevated pressure of SiF₄, the integrated absorption coefficient of the absorption band ν₃ of the ²⁸SiF₄ molecule was measured to be A(ν₃) = 700 ± 30 km/mol. Within the limits of experimental error, this absorption coefficient is consistent with estimates obtained from independent measurements and virtually coincides with the coefficient A(ν₃) = 691 km/mol calculated in this study by the quantum-chemical method MP2(full) with the basis set cc-pVQZ.     

Analytical model of a Brownian motor with a fluctuating potential

We propose a model of a Brownian motor that performs a useful work against a load force F in an asymmetric periodic potential V(x) = V(x + 2L) that undergoes random shifts by a half period L with a frequency γ. An arbitrarily shaped potential profile is repeated with an energy shift ΔV in both half-periods L, while the periodicity of the function V(x) is ensured by its jumps at x = 0 and x = L. The boundary condition at x = 0 for the distribution function of a Brownian particle allows us to introduce a high and narrow potential barrier V₀ that blocks the reverse current and leads to high efficiency of the motor (the ratio of the useful work done against the load force F to the energy imparted to the particle through the potential shifts). Based on this model, we derived exact analytical expressions for the current J and the efficiency η. In the special case of piecewise-linear potentials, J and η were plotted against F and γ for various values of the parameters ΔV and V₀. We discuss the influence of the potential shape and fluctuation frequency on the main characteristics of the motor.     

Molecular mobility of nanocellulose hydrogels

The molecular mobility of nanocellulose hydrogels isolated from microcrystalline cellulose is evaluated using the spin probe method, from the correlation time τ (s) and rotational frequency ν = 1/τ(s^–1) of stable nitroxyl radicals introduced into the medium under study. In an aqueous gel medium, the EPR spectrum of the probe features an anisotropic triplet of frozen particles over a temperature range of 77 to 265 K. In an aqueous–ethanolic gel solution, the temperature of onset of rotation of the radical is 85 K lower. The rotational correlation time is determined from the parameters of the EPR spectrum recorded in the temperature range of 180–290 K. The resulting Arrhenius temperature dependence logν = f(1/T) is used to evaluate the activation energy of rotation E of the radical and the preexponential factor ν₀(s^–1), the frequency of rotational vibrations of the particle around the equilibrium position. For the aqueous medium, E = 11.2 kcal/mol; in the presence of ethanol, E = 5.2 kcal/mol; the preexponential factors for the aqueous and aqueous–ethanolic media are ν₀ = 7 × 10¹⁸ and 6 × 10¹⁴ s^–1, respectively. The parameters E and ν₀ measured in the pure solvents and in the samples containing nanocellulose differ little, which is indicative of a high hydrophobicity of the probe molecule (and hydrogel particles) and of their weak interaction with the environment. The high value (~10¹⁸ s^–1) of the preexponential factor is explained in terms of the compensation effect of water.     

Ferroelectric phase transitions in ionic conductors based on bismuth vadanate

Ceramic solid solutions (Bi_{1 ? x} La _x )₄V₂O_{11 ? z} (I), Bi₄(V_{1 ? x} Fe _x )₂O_{11 ? y} (II), and (Bi_{1 ? x} La _x )₄(V_0.96Fe_0.04)₂O_{11 ? y} (III) (x = 0–0.3, step Δx = 0.02) are prepared using solid-phase synthesis. The concentration and temperature ranges of stabilization of different polymorphic modifications, including the ranges of concentrations x corresponding to the stabilization of the ferroelectric phase, are established. It is revealed that an increase in the concentration x in the region of existence of the pseudoorthorhombic phase α of the solid solutions studied leads to a decrease in the transition temperature, smearing of the transition, and an increase in the width of the thermal hysteresis of the ferroelectric phase transition. The effect of compressing of the domain walls by oxygen vacancies was revealed in the samples from the region of existence of the ferroelectric α phase, and the effect of dielectric relaxation was detected in the samples from the region of existence of the orthorhombic phase β.     

Visualization of a Berezinskii–Kosterlitz–Thouless Topological Phase Transition in a Josephson Medium: Detection of an Anomalous Temperature Dependence of the Magnetoresistance of YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7–δ</Subscript> Granular High-Temperature Superconductors

The density of states of the valence band of a p-GaAs layer formed on an n-GaAs surface owing to the bombardment by 2500-eV Ar⁺ ions has been studied by photoelectron spectroscopy. A number of peaks have been detected in the spectrum of the edge of the valence band in the binding energy range E_V < 1.2eV. Their number and energy positions correspond to the quantum confinement levels calculated for a hole quantum well on the surface with the width about the ion penetration depth R_p = 3.6nm. Electronic transitions from these levels to the bottom of the conduction band have been revealed in the spectrum of characteristic energy losses of electrons reflected from the surface. Thus, it has been shown that the action of the argon ion beam on n-GaAs results in the formation of a quantum well on the surface.     

A consequence from the model description of a decomposing liquid mixture

In terms of representation [1] of a decomposing binary liquid mixture as a system of two coupled self-oscillators with partial frequencies ν _A and ν _B , the following conjecture is verified: given frequency ratios ν _A /ν _B and ν _A /ν _C for decomposing liquid mixtures A-B and A-C at the same temperature, it is possible to determine the ν _B /ν _C ratio, which is independent of the choice of the A component.     

Study of supersolidity in the two-dimensional Hubbard–Holstein model

We derive an effective Hamiltonian for the two-dimensional Hubbard–Holstein model in the regimes of strong electron–electron and strong electron–phonon interactions by using a nonperturbative approach. In the parameter region where the system manifests the existence of a correlated singlet phase, the effective Hamiltonian transforms to a t₁ ? V ₁ ? V ₂ ? V ₃ Hamiltonian for hard-core-bosons on a checkerboard lattice. We employ quantum Monte Carlo simulations, involving stochastic-series-expansion technique, to obtain the ground state phase diagram. At filling 1∕8, as the strength of off-site repulsion increases, the system undergoes a first-order transition from a superfluid to a diagonal striped solid with ordering wavevector \(\vec{Q}\) = (π∕4, 3π∕4) or (π∕4, 5π∕4). Unlike the one-dimensional situation, our results in the two-dimensional case reveal a supersolid phase (corresponding to the diagonal striped solid) around filling 1∕8 and at large off-site repulsions. Furthermore, for small off-site repulsions, we witness a valence bond solid at one-fourth filling and tiny phase-separated regions at slightly higher fillings.     

Studying the quantum size effect in LiF-based thin films with Ag and Cu nanoclusters

The characteristic energy of distributions of Ag and Cu nanoclusters in LiF-based thin films is estimated from the slope of the I–V characteristic, built in double logarithmic coordinates logI = f (logU). It is shown that the energy states of small clusters lie above the bottom of the conduction band and form a potential barrier, while the energy states of large clusters lie below the bottom of the conduction band and form a potential well. The change in the positions of energy levels along with nanocluster size and the effect of quantum limitations imposed on the electrical and optical properties of the system are confirmed experimentally.     

On the continuous eigenvalues of the Lippmann-Schwinger operatorK(W)

The continuous eigenvalues of the Lippmann-Schwinger operatorK(W)=G ₀ (W)·V at real negative energyW are investigated. It is shown that for energies in the stability region of the system the continuous spectrum is located inside the unit circle. As an application of this result a method for computing the groundstate energy of a threenucleon system is described.