Superconducting state parameters of metallic glass Mg70Zn30 using linearized screened pseudopotential

A linearized form for the screened form factors of electron-phonon interaction in the metallic glass Mg₇₀Zn₃₀ is applied for the first time to predict the superconducting state parameters viz. electron-phonon coupling strength (λ), Coulomb pseudopotential (μ*), transition temperature (T _c), isotope effect exponent (α) and the interaction strength (N ₀ V). Computed results agree with the experimental data available in the literature.     

Phonon emission spectra of thin metallic films

Thin metallic films evaporated on an Al₂O₃-single crystal and cooled to liquid helium temperatures are heated by short electric current pulses. The high frequency part of the emitted phonons is detected by calibrated superconductive tunneling junctions on the opposite surface of the substrate. The observed phonon detector signal amplitude is compared with theoretical models taking account of the boundary conditions for elastic waves in the film. It is found that the phonon spectrum emitted perpendicularly to the substrate-film boundary depends strongly on the thickness of the heater film.     

Empirical pseudopotential band structure parameters of 4H-SiC using a genetic algorithm fitting routine

In this paper, the viability of using a genetic algorithm to find band structure parameters for empirical pseudopotential method (EPM) calculations is demonstrated by applying a genetic algorithm to find the EPM parameters for 4H-SiC. The form of the pseudopotential for 4H-SiC and the 19 form factors found by the genetic algorithm to fit the band structure to experimentally measured indirect energy gap and direct optical gaps are given. In addition, the effective masses for the conduction band minimum are extracted from the calculated band structure. It is shown that the genetic algorithm provides an effective, automated way to find parameters that give reasonably good fits to both the band gaps and the effective masses simultaneously.     

Ge dots on Si (1 1 1) and (1 0 0) surfaces with SiO2 coverage: Raman study

Germanium quantum dots formed on Si (1 1 1) and (1 0 0)-oriented surfaces coated with ultra-thin oxide layers are studied using Raman spectroscopy technique. Some structural properties (height, stoichiometry and mechanical stresses) of the dots were estimated from Raman data. For analysis of the experimental data, the Raman spectra of Ge nanoclusters containing some hundreds of Ge atoms were calculated numerically. The effects of the resonance enhancement of the intensity of Raman scattering in the Ge-nanoclusters–SiO₂–Si system were discussed. The influence of the lateral sizes of Ge nano-clusters on the frequencies of phonons localized in them was studied using numerical simulation. The influence of multi-layer growth on the structure of the Ge quantum dots was investigated.     

The Young-Hoshino pseudopotential for lithium: calculations of structure and thermodynamics

The recently proposed Young-Hoshino model pseudopotential for lithium has been applied to the calculation of structure and thermodynamics. A slight modification of the model potential is necessary and this produces better core size and long range tail of the interionic effective pair potential than the original model.     

Study of superconducting state parameters of amorphous metals by a pseudopotential theory

The theoretical computation of the superconducting state parameters (SSP) viz; electron-phonon coupling strength λ, Coulomb pseudopotential μ ^*, transition temperature T _c , isotope effect exponent α and effective interaction strength N _O V of some monovalent (Cu and Au), divalent (Ca, Sr, Ba, αHg, βHg and Ra) and polyvalent (Lu, Rh, Sc, Y, La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Ac, Th, Hf, Ru, Os, Ir, V, Ta, Pa, Cr, Mo, U, Re, Np and Pu) amorphous metals based on the different groups of the periodic table have been carried out for the first time using the well known Ashcroft’s empty core (EMC) model pseudopotential. Herein, we have employed five different types of local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) to study the exchange and correlation effects on the present investigations. A very strong influence of all the exchange and correlation functions have been observed in the present study. Our results are in fair agreement with documented theoretical as well as experimental data. A strong dependency of the SSP of amorphous metals on the valency Z was found.      

Phonon scattering in harmonic model for a typical quantum wire

In this study, we extend a fully exact Green’s function formalism to calculate the phonon transmission coefficient in a short simulated chain. We obtain new analytical formulas for a uniform-mass and periodic-mass chain. The results for a simple chain show that the resonance peak will be appeared without gap but for the periodic chain the transmission coefficient contains a gap in the acoustic band of leads.     

Phonon coupling of non-bridging oxygen hole center with the silica environment: Temperature dependence of the 1.9 eV emission spectra

We report an experimental study on the shape of the 1.9 eV emission associated with non-bridging oxygen hole centers in silica and its temperature dependence, from 4 up to 300 K, under visible and ultraviolet excitation. Our analysis points out that these defects are coupled with their environment by phonons whose contribution can be described by the single mode of mean frequency between 300–400 cm⁻¹ and Huang–Rhys factor of 3. On increasing the temperature, the luminescence intensity undergoes a thermal quenching caused by non-radiative processes, its deviation from a pure Arrhenius law can be accounted for by an uniform distribution of activation energy, from 0.002 to 0.05 eV. Meanwhile the emission band gets narrower, this contrasts with the broadening with temperature observed in other silica defects and suggests that the vibrational levels associated with the excited state are not thermally populated according to Boltzmann's law.     

Laser-induced breakdown spectra of Zn2 molecule in the violet region

Laser-induced breakdown spectrum has been recorded in the region of 380–455 nm using second harmonics of Nd:YAG laser, computer-controlled TRIAX 320 M monochromator with a reciprocal linear dispersion 2.64 nm/mm fitted with ICCD detector. The spectrum consists of 108 bands, which are classified into four new subsystems E0 _u ⁺ (¹Σ _u ⁺ ) → A1_g(³Π_g), J0 _g ^± \1_g(³Σ _g ⁺ ) → D1_u(¹Π_u), F1_u → A0 _g ^± (³Π_g) and F1_u → A2_g(³Π_g) along with additional bands of the known system E0 _u ⁺ (¹Σ _u ⁺ ) → A0 _g ^± (³Π_g). The molecular constants for these systems have also been determined.     

Unified study of lead: Energy-dependent pseudopotential calculation

A Unified study of lattice-mechanical properties of lead using energy-dependent pseudopotential is carried out. Energy dependence in pseudopotential is considered through the effective mass approximation; the pseudopotential model chosen is the local Heine-Abarenkov model potential. Properties studied include cohesive energy, equilibrium lattice parameter, second-order elastic constants, pressure derivative of second-order elastic constants, equation of state (atT=0 K), phonon-dispersion and effective two-body interaction. The results show fairly good agreement with experiment especially with a modified Heine-Abarenkov potential.     

Phonon drag resistivity of potassium

The phonon drag resistivity for potassium is calculated by solving the Boltzman equations for both the electrons and phonons as opposed to the conventional method of Ziman where the phonon equation is not considered. By an application of the Schwartz inequality we can show that the drag resistivity in the present formalism is larger than that obtained by the conventional method. We substantiate this result by numerical calculation for potassium at very low temperatures, using a realistic phonon spectrum obtained from inelastic neutron scattering data. Parts of this paper were presented as partial fulfilment for a Ph.D. degree at Cornell University. The work was partially supported by CSIR funding.     

手性单壁碳纳米管声子谱的计算

本文对不同直径的单壁碳纳米管的声子谱进行了计算。利用碳管的对称性对其晶格动力学矩阵进行了约化,给出全部声子的频率以及振动模对称性。详细分析了布里渊区(点声子的频率与管径的依赖关系,总结出一些规律,并对其进行了分析。     

Phonon dispersion curves and densities of lithium-intercalated iron phosphorus trisulfide

Summary The lattice dynamics of Li-intercalated FePS₃ has been studied by means of a force constant model generated by a set of short-range two-body potentials. The intercalated phases have been investigated for the three stoichiometric compositions: Li_0.5FePS₃, LiFePS₃, Li_1.5FePS₃, with the aim of analysing the evolution of the host lattice normal modes as a function of the concentration, and of finding the dispersion of the new phonon branches induced by lithium. The above special values of lithium concentration have been chosen because the size of the unit cell keeps the same as in the host material. The force constants are fitted to the infrared data and the phonon dispersion curves and the phonon energy densities have been calculated. A spectroscopic method for monitoring lithium migration in the host material is proposed.     

Phonon spectra of a Fibonacci chain

Based on more realistic physics we study the phonon spectra of the Fibonacci chain by taking into account a nonlinear resistance. It is found that the nonlinear force should be very weak and consequently, the continuity, range and gaps of the phonon spectra would be still controlled dominantly by the relative strength of spring constants and chain length. It means that even if no additional nonlinear resistance was taken into account, the conventional results of phonon spectra are exactly correct. On the other hand, in the framework of a conventional model we investigated the relationship between the biggest gaps of phonon spectra and defects of Fibonacci-like aperiodic chains. By means of numerical calculations one can obtain quantitatively the maximum of the length of a one-dimensional aperiodic chain sensitive to boundaries. This method would be useful for the calculation of quasiperiodic and aperiodic lattices.     

固-固接触热传导的声子传递系数

声子传递系数是影响低温接触界面热传导的重要因素,文中对中间低温(20K~200K)接触传导模型的声子传递系数进行了讨论,分析了接触界面温差、弹性镜面传递和散射传递下的声子传递系数;还讨论了热流方向对声子传递系数的影响;指出了声失配理论预测值与实验值间存在差别的可能原因。该讨论对分析接触热传导有一定意义。     

Phonon properties of rare earth ytterbium pnictides

We report for the first time the complete phonon dispersion curves for the ytterbium pnictide compounds (YbN, YbP and YbAs) using a breathing shell model to establish their predominant ionic nature. The calculated results also show that this group of rare earth compounds does not show any elastic and phonon anomalies which are the characteristic features of other rare earth compounds. We emphasize the need for further Raman and neutron scattering measurements.     

Phonon transport in silicon-silicon and silicon-diamond thin films: Consideration of thermal boundary resistance at interface

Phonon transport across the silicon-silicon and silicon-diamond dielectric films is examined. To simulate the phonon transport in the films EPRT is accounted and numerical solutions are obtained with the consideration of 1 K difference across the films prior to the initiation of the phonon transport. The diffuse mismatch model is introduced to account for the thermal boundary resistance at the interface of the films. To validate the code developed, the steady and transient cases for phonon transport in silicon film are carried out. It is found that the equilibrium temperature of phonons attains higher value at the interface of silicon films in silicon-silicon films than that corresponding to silicon-diamond films. The predictions of phonon temperature distribution in the silicon film agree well with its counterpart reported in the previous studies.     

Calculation of electrical resistivity of Mg,Cd, and Zn in solid and liquid state. local pseudopotential approximation

Pseudopotential method, thermodynamic perturbation theory, and the formula due to Ziman are used for calculating the temperature dependence of the electrical resistivity of solid and liquid Mg, Cd, and Zn. In solid metals, a system of Einstein oscillators is chosen as the ground state, and in melts, solid spheres are chosen. Electrical resistivity of a solid metal is represented by a sum of a diffusion and a continuous contribution, with the latter practically completely determining the temperature dependence of electrical resistivity. The local pseudopotential approximation is found to be sufficiently correct for calculating the electrical resistivity of Mg; however, it gives lower values of electrical resistivities of Cd and Zn, which is due to neglecting hybridization effects.Translated from Izvestiya Vysshikh, Uchebnykh Zavedenii, Fizika, No. 3, pp. 93–100, March, 1984.