Simulation of the electronic structure of simple oxides BeO and SiO2 and complex oxides Be2SiO4 and Be2SixGe1 ? xO4 with the phenacite structure

The ab initio numerical calculations of the electronic structure of simple oxides BeO and SiO₂ and complex oxides Be₂SiO₄ and Be₂Si _x Ge_{1 − x} O₄ with the phenacite structure have been performed using the electron density functional theory. The calculations indicate that the main feature of the systems under investigation is the presence of oxygen states in both the valence and conduction bands. The splitting of the bottom of the conduction band has been revealed in the electronic structure of the Be₂Si _x Ge_{1 − x} O₄ system. The splitting width is about 1.5 eV. The main contribution to the formation of a narrow subband of the conduction band comes from the 2s and 2p states of oxygen and the 4d state of germanium. Microscopic models of the spatial localization of the electron density on lower energy states of the conduction band of oxide crystals have been developed using the Wannier function technique. The reflection spectra of BeO, SiO₂, and Be₂SiO₄ have been analyzed. The reported calculations of the electronic structure imply the exciton nature of the 9.7-eV reflection peak in the Be₂SiO₄ crystal.     

Enthalpy of mixing in the propylene oxide–dimethylformamide and propylene oxide–ethylene glycol systems

Heat of mixing of propylene oxide with N,N-dimethylformamide and ethylene glycol has been determined by means of microcalorimetry. Theoretically suggested choice of the aprotic solvent as a selective separating agent for the propylene oxide–methanol binary mixture has been experimentally justified.     

Efficiency of a planar diode with an explosive emission cathode under the conditions of delayed plasma formation

The energy and current balances in the diode unit of a high-current pulsed electron accelerator (350–500 keV, 60 ns, 250 J per pulse) are compared for an explosive emission cathode (made of graphite, copper, or carbon felt) and a multipoint (graphite or copper) cathode. The planar diode with the continuous cathode is shown to be more efficient in terms of conversion of the applied energy to electron energy (more than 90%) despite a delay in the plasma surface formation. With the impedance of the planar diode matched to the output resistance of the nanosecond generator, the efficiency of the diode does not depend on the time of plasma formation on the cathode. In the case of the graphite cathode, the plasma formation delay reduces the fraction of slow electrons in the forming electron beam and reduces electron losses in anode foil when the beam is extracted from the vacuum space of the diode chamber into the reactor.     

Giant intrinsic carrier mobilities in graphene and its bilayer

We have studied temperature dependences of electron transport in graphene and its bilayer and found extremely low electron-phonon scattering rates that set the fundamental limit on possible charge carrier mobilities at room temperature. Our measurements show that mobilities higher than 200 000 cm2/V s are achievable, if extrinsic disorder is eliminated. A sharp (thresholdlike) increase in resistivity observed above approximately 200 K is unexpected but can qualitatively be understood within a model of a rippled graphene sheet in which scattering occurs on intraripple flexural phonons.     

Pressure dependence of the superconducting state parameters of metallic glass superconductor Mg70Zn30

Explicit expressions have been derived for the volume dependence of electron-phonon coupling strength (λ) and the Coulomb pseudopotential (μ^*) considering the variation of Fermi momentum (κ _F) and Debye temperature (θ _D) with volume. Ashcroft’s model pseudopotential and RPA form of dielectric screening have been used for obtaining pressure dependence of transition temperature (T _C) and the logarithmic volume derivative (Φ) of the effective interaction strength (N ₀ V) for metallic glass superconductor Mg₇₀Zn₃₀. It has been observed that T _C of the metallic glass Mg₇₀Zn₃₀ decreases rapidly with increase of pressure and the superconducting phase disappears at about 30% decrease of volume, for which the μ^* curve shows a minimum and an elbow is formed in the Φ graph.     

Orbital Selective Localization Enhancement in Ca2 – xSrxRuO4

JETP Letters - The combination of density functional theory with dynamic mean field theory (DFT + DMFT) was applied for the investigation of the magnetic properties of Ca2 – xSrxRuO4. We...     

Development and Study of Composite Acoustic Resonators with Al/(Al,Sc)N/Mo/Diamond Structure with a High Q Factor in the UHF Range

Acoustical Physics - The paper demonstrates for the first time the possibility of using aluminum nitride–scandium as an effective piezoelectric material in composite acoustic resonators on...     

Synthesis of a Water Dispersion of the PEDOT:PSS/Pd Composite and Its Use for the Fabrication of an Electrochemical Sensor for Hydrazine

Conditions are studied for the synthesis of water dispersions of polymer composites containing palladium and the possibility of their use for the fabrication of modified electrodes is estimated. Water dispersions of the polymer poly(3,4-ethylenedioxythiophene), including a polystyrene sulfate polyanion (PEDOT:PSS) and Pd particles, were obtained by the redox reaction of Pd(II) with the polymer. The electrochemical behavior of composite PEDOT:PSS/Pd films in the medium of a phosphate buffer solution with pH 6.86 is studied. It is shown that, in the presence of hydrazine in a phosphate buffer solution, one wave of hydrazine oxidation on metal inclusions, Pd particles, is observed on the electrode. Specific features of the process of hydrazine oxidation are studied and a possibility using the obtained material for the creation of an electrochemical sensor for hydrazine is demonstrated.