Electronic structure and physical properties of bcc selenium under high pressure

Abstract

Here we report a theoretical calculation of the band structure and superconductivity of Se in the bcc phase. The energy band structure and the effect of pressure on the band structure is obtained by means of the Linear Muffin-Tin Orbital method within the atomic sphere approximation. The superconducting transition temperature (T_c) is calculated using McMillan's formula and we predict the value of T_c at 115.3 Gpa as 2.3 K. Further increase in presssure decreases the T_c values. The normal state electrical resistivity at 115.3 Gpa is 1.43 fl cm, with further increase in pressure the resistivity decreases, which is a typical behaviour of number of elemental metals under pressure.     

X-ray microanalysis of quaternary semiconductor solid solutions and its application to the (SnTe-SnSe):In system

A reliable technique of local chemical characterization of multicomponent semiconductor solid solutions has been developed, and the possibility of its application to the SnTe-SnSe quaternary solid solutions doped with 16 at.% In verified. The behavior of the electrical resistivity of samples of these solid solutions at low temperatures, 0.4–4.2 K, has been studied. The critical temperature T _c and the second critical magnetic field H _c2 of the superconducting transition and their dependences on the solid-solution composition have been determined. The superconducting transition at T _c≈2–3 K is due to hole filling of the In-impurity resonance states, and the observed variation of the superconducting transition parameters with increasing Se content in the solid solution is related to the extrema in the valence band and the In band of resonance states shifting with respect to one another. Fiz. Tverd. Tela (St. Petersburg) 41, 612–617 (April 1999)     

Theory of superconductivity in strongly correlated materials: Application to cuprate superconductors

A microscopic theory of superconductivity in systems with strong electron correlations is considered within the Hubbard model. The Dyson equation for the matrix Green function in terms of the Hubbard operators is derived and solved in the noncrossing approximation for the self-energy. Two channels of superconducting pairing are revealed: mediated by antiferromagnetic (AFM) exchange and spin-fluctuations. It is proved that AFM exchange interaction results in pairing of all electrons in the conduction band and high T _c proportional to the Fermi energy. T _c dependence on lattice constants (or pressure) and an oxygen isotope shift of T _c are explained. The text was submitted by the author in English.     

Polar relaxation mode in PbZrO3 crystals

Abstract

In antiferroelectric lead zirconate crystal with one phase transition a nearly monodispersive dipolar relaxation has been found in the paraelectric phase and temperature range 20 K below T _c in the frequency region 20—3 ′ 10⁵ Hz. This relaxation has a dominating influence on the temperature dependence of dielectric susceptibility. Relaxation time obeys the Arrhenius law increasing up to 1.5 ′ 10^?2s (11 Hz) at T _c and then exhibiting a distinct jump.     

Low-temperature conductivity and the Hall effect in (PbzSn1 ? z)0.84In0.16Te semiconducting solid solutions

The temperature dependences of the conductivity and the Hall effect in heavily doped polycrystalline samples of the (Pb _z Sn_{1 − z} )_0.84In_0.16Te solid solutions with lead content varied within the 0 ≤ z ≤ 0.9 interval have been studied. For x ≤ 0.65, the material undergoes a superconducting transition at a critical temperature T _c ≤ 4.2 K in a magnetic field H _c2(0 K) ∼ 50 kOe. As the lead concentration is increased to z ≤ 0.9, a clearly pronounced trend to transfer of the material to the dielectric state is observed at helium temperatures. The observed behavior is related to the variation in the band structure of the solid solutions with variations in the material composition, doping level, and position of the indium impurity band. The dependences of the resistivity, Hall effect, and superconducting characteristics of (Pb _z Sn_{1 − z} )_0.84In_0.16Te on the temperature and the composition of the solid solutions is observed to be related to the variation in its band structure as tin atoms are replaced with lead in the metallic sublattice of the compound. Original Russian Text ? D.V. Shamshur, S.A. Nemov, R.V. Parfen’ev, M.S. Kononchuk, V.I. Nizhankovskii, 2008, published in Fizika Tverdogo Tela, 2008, Vol. 50, No. 11, pp. 1948–1952.     

Backscattering of low-energy (0–8 eV) electrons by a silicon surface

An experimental apparatus and method for investigating elastic and inelastic backscattering (180°) of low-energy (0–8 eV) monoenergetic electrons by a solid surface are described and the first results are presented for the reflection of electrons by samples of pure single-crystalline silicon with a polished surface (Si), doped p-type single-crystalline silicon with a porous surface (Si-p) as well as H₂O and H₂O₂ passivated porous samples, Si-p + H₂O and Si-p + H₂O₂. A structure due to the excitation of surface plasmons has been observed for the first time in the loss spectra. Features corresponding to a resonance excited state of molecular nitrogen adsorbed on the surface of porous silicon have been observed in the constant residual energy spectra. Zh. Tekh. Fiz. 67, 103–108 (May 1997)     

The density and pressure of helium in bubbles in metals

Abstract

The energy shift of the He 1¹S₀?2¹P₁ transition, ΔE(n), can be used to determine the density, n, of He in bubbles in metals. A self-consistent band structure calculation for solid fcc He yields a linear relationship ΔE=C.n with C _th=22 × 10^?3 eV nm³. Systematic electron energy loss spectroscopy and transmission electron microscopy studies of He bubbles in Al for various He doses and temperatures result in C_exp=(24±8).10^?3 eV nm³ in agreement with theory. The analysis is consistent with the assumption that dislocation loop punching is the dominant bubble growth mechanism during high-dose room temperature implantation. The application to He bubbles in Ni indicates a maximum He density of n=0.2 × 10³ nm^?3 for which He should be solid at room temperature.     

The range of validity of the critical-velocity model in superconductors

From the distribution function of normal electrons in the energy gap of the superconductor, the influence of the electric current on the density of superconducting electrons is calculated and the maximum lossless velocityv _c of the electrons is determined. The value ofv _c limits also the range of validity of the critical-velocity model, calculated under the assumption of a rigidly pinned vortex lattice. The range of applicability of the critical-velocity model is shown to be restricted to the immediate vicinity of the upper critical field.     

Studies of chemical diffusion in La1-X SrXCoO3-δ

Recent investigations of superconductivity in carbon nanotubes have shown that a single-wall zig-zag nanotube can become superconducting at around 15?K. Theoretical studies of superconductivity in nanotubes using the traditional phonon exchange model, however, give a superconducting transition temperature T _c less than 1?K. To explain the observed higher critical temperature we explore the possibility of the plasmon exchange mechanism for superconductivity in nanotubes. We first calculate the effective interaction between electrons in a nanotube mediated by plasmon exchange and show that this interaction can become attractive. Using this attractive interaction in the modified Eliashberg theory for strong coupling superconductors, we then calculate the critical temperature T _c in a single-wall nanotube. Our theoretical results can explain the observed T _c in a single-wall nanotube. In particular, we find that T _c is sensitively dependent on the dielectric constant of the medium, the effective mass of the electrons and the radius of the nanotube. We then consider superconductivity in a bundle of single-wall nanotubes and find that bundling of nanotubes does not change the critical temperature significantly. Going beyond carbon nanotubes we show that in a metallic hollow nanowire T _c has some sort of oscillatory behaviour as a function of the surface number density of electrons.     

Optische Eigenschaften des einkristallinen Siliziums aus Elektronenenergieverlustmessungen

Electron energy loss measurements on Si-monocrystals with fast electrons in transmission have been carried out to determine the energy loss function Im—1/. The real and imaginary part of the dielectric constant have been deduced from the Kramers-Kronig relation. The results are compared with those obtained from optical reflectance data. The energy loss function obtained from these energy loss experiments is found to be in good agreement with theoretical calculations.     

Dielectric relaxation in ferroelectric (CH3)2NH2AL(so4)2 · 6H2O crystal

Abstract

This paper presents the results of the investigation of dielectric dispersion and ultrasonic velocity in the ferroelectric (CH₃)₂NH₂Al(SO₄)₂ · 6H₂O crystal. The crystal shows a critical slowing down process of polarization with an extremely long relaxation time of the dipole system (τ = 1.6 · 10^?7s at the phase transition point). The dielectric response over the frequency range up to 56 GHz in the paraelectric phase can be well described in terms of a monodispersive Debye-type formula. The activation energy of dipoles in the paraelectric phase is 0.11 eV = 8.5 kT_c . The results show that the proper ferroelectric phase transition is nearly critical and of the order-disorder type.     

A new quaternary semiconductor compound (Ba2Sb4GeS10): Ab initio study

Abstract

The newly synthesised Ba₂Sb₄GeS₁₀ compound is notable because of the interesting features of the quaternary Sb-containing materials. The first principle method has been used to determine the physical properties of this compound. In particular, the electronic structure has been analysed using both conventional GGA-PBE and HSE06 functional. The values of the band gap for PBE and HSE06 calculations were 1.324 and 1.84 eV, respectively. The calculated elastic constants were used to predict polycrystalline mechanical properties. The estimated Vickers hardness (2.7 GPa) values show that Ba₂Sb₄GeS₁₀ is soft matter. Moreover, the vibrational properties of the compound have been studied. The calculation of the elastic constants and phonon dispersion curves indicates that the Ba₂Sb₄GeS₁₀ compound is stable both mechanically and dynamically. Furthermore, the minimum thermal conductivity and optical properties, such as dielectric functions and energy loss function, have also been discussed in detail in this paper.     

Binary and multiparticle electron-electron interaction on the surface

It is shown for the first time that electron-electron scattering of slow electrons with an energy of 10–50 eV at the surface of some metals is mainly an event of binary scattering of particles with conserved total momentum and energy, while analogous scattering at the surface of a semiconductor (n-Si) and an insulator (MgO) is a multiparticle event. A model is proposed, in which the electron subsystem of a solid is characterized by short-range order. Each electron is at the center of a spherical cell and surrounded by nearest neighbors (electrons) with a coordination number of 12. The overlap of the fields of charges gives rise to a negative potential U _c (r) ≈ U _c , which is virtually constant along the coordinate and contains spherical cells with a central field U(r) of individual charges. The value of constant negative potential U _c depends on the extent of electron screening, which is high for metals and low for semiconductors and insulators. In metals, scattering governed by the binary mechanism may take place (i.e., scattering of a primary electron in the central field of an electron of the metal); this is ensured by a relatively small value of constant potential U _c . The electron subsystem of the metal behaves as a Fermi gas of weakly interacting quasiparticles. Electron screening in semiconductors and insulators is insignificant, and constant negative potential U _c is an order of magnitude higher than the analogous potential in metals. Slow primary electrons are scattered in the total field of many charges before they reach the central field of an individual electron. The electron subsystem of a semiconductor and an insulator in the excitation range studied here behaves as an ensemble of strongly interacting particles.     

Formation of the 255-keV annihilation line near the magnetic poles of pulsars

The possibility of existance is discussed for pulsars emitting soft γ radiation near their magnetic poles upon the annihilation of ultrarelativistic positrons from the magnetosphere and electrons from the surface of a star. With an increase in the energy of incident positrons, the photon energy of this backward radiation tends to a constant value m _e c ²/2=255 keV. This radiation is shown to be directed opposite to the positron flux direction.

     

Low temperature electron irradiation of tellurium

Abstract

Tellurium single crystal samples with a hole concentration of 3 × 10¹⁴/cm² were irradiated at 10 K with electrons with an energy of 0.6 and 1 MeV. In the range investigated resistivity and Hall-coeficient R_H both decreased linearly with the integrated electron flux. The hole generation rate was 0.09 cm^?1 and 0.47 cm^?1 for 0.6 and 1 MeV electrons, respectively. The Hall-mobility R_H/P increased with irradiation.

Annealing of the radiation damage by raising the temperature clearly revealed three recovery stages in the resistivity- and Hall-data. At 180K p and R_H returned to their pre-irradiation values. The original Hall-mobility was already restored close to 90 K.

A more detailed study of the first recovery stage, which occurs at about 50 K, revealed an activation energy of 170±40meV. It is most likely, that the observed lattice defects are Frenkel-defects. There are indications, that the point defects interact with dislocations.     

Effect of uniaxial stress on the dielectric properties of BaTiO3+0.1wt.%Eu2O3 ceramics

ABSTRACT

BaTiO₃+0.1wt.%Eu₂O₃ ceramics were prepared by a solid-state reaction method. The dielectric behavior of these ceramics as a function of uniaxial pressure has been systematically studied. The external stress showed obvious effects on these properties. An increase of the Curie point (T_c) and decrease of the Curie–Weiss temperature (T₀) was observed with increasing pressure, resulting in an increase in the first-order nature of the phase transformation (T_c–T₀ increases). Broadening and flattening of the permittivity versus temperature curves near their maximum was found. The pressure behavior of thermal hysteresis and the ??/?T vs. T plot suggests that the phase transition changes to second-order type with increasing pressure. Furthermore, the Curie–Weiss constant obtained from a modified Curie–Weiss law strongly decreases with increasing pressure, suggesting that the mechanism of phase transition is going to order–disorder type.     

On the dependence of the critical temperature on pressure in the bisoliton model of high temperature superconductors

Abstract

In the framework of the bisoliton model we have studied the critical temperature T _c, as a function of the pressure P and of the hole concentration δ for the high temperature superconductors YBa₂Cu₃O_x and (La_1-xM_x)₂CuO₄. Our results for δ ln T_c/δ ln V as a function of T _c describe quite satisfactorily the general trend of the experimental data. Furthermore we show that in the bisoliton model the energy gap δ (in units of Jg³/3, where J is the nearest-neighbour exchange integral and g is the nonlinearity parameter) is an universal function of δ/g. An analogous property is valid for T _c By fitting the maximum value of T _c we are able also to reproduce the experimental data for T _c(δ).     

Theoretical band structure calculation and superconductivity of NbC under pressure

Abstract

We report a theoretical calculation of the band structure and superconductivity of niobium carbide in the NaCl structure under pressure. The effect of pressure on the band structure is obtained by means of the self-consistent linear muffin-tin orbital method. The parameters necessary to calculate the superconducting transition temperature (T_c) are taken from our band structure results. The dependence of total energy on volume is calculated and is in good agreement with other earlier works. The calculated value of the cell parameter is in agreement with the experimental value (8.45 a.u). McMillan formula is used to calculate the value of T_c The calculated values of T_c are compared with the available experimental data.     

Quasi-Classical and Classical Cross Sections for the Scattering of Electrons on the Coulomb Cut-Off Potential

The elastic scattering of electrons on the cut-off Coulomb potential U_c(r) = ?1/r + 1/r_c, for r ≦ r_c and U_c(r) = 0, for r > r_c, has been considered. It has been shown that for ε > 0.5/r_c (ε is the energy of free electrons in atomic units) the analytical quasi-classical expressions describe quite well the behaviour of transport, differential and total cross sections for elastic scattering. It has been shown moreover, that in the energy range considered, transport cross section could be determined with practically the same accuracy already by means of classical, analytical expressions. Born approximations show larger deviations from exact quantum calculations.