Superconducting state parameters of La<Subscript>100-<Emphasis Type="Italic">C</Emphasis></Subscript>Ga<Subscript><Emphasis Type="Italic">C</Emphasis></Subscript> binary metallic glasses

The theoretical investigations 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 six binary La_100-C Ga _C (C = 16, 20, 22, 24, 26 and 28 at. %) metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. It is observed that the electron-phonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N _O V show weak dependences on the local field correction functions. The T _C obtained from H-local field correction function are found in qualitative agreement with available experimental data and show almost linear nature with the concentration (C) of ‘Ga’ element. A linear T _C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found to be in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.      

Superconducting state parameters of indium-based binary alloys

Our well-recognized pseudopotential is used to investigate the superconducting state parameters viz: electron-phonon coupling strength λ. Coulomb pseudopotential μ*, transition temperature T _c, isotope effective exponent α and interaction strength N ₀ V for the In_1−x Zn _x and In_1−x Sn _x binary alloys. We have incorporated six different types of local field correction functions, proposed by Hartree, Taylor, Vashistha-Singwi, Ichimaru-Utsumi, Farid et al and Sarkar et al to show the effect of exchange and correlation on the aforesaid properties. Very strong influence of the various exchange and correlation functions is concluded from the present study. The comparison with other such theoretical values is encouraging, which confirms the applicability of our model potential in explaining the superconducting state parameters of binary mixture.     

Superconducting state parameters of CuCZr100-C metallic glasses

The theoretical investigation 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 ₀ V of ten Cu _C Zr_100−C metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential. Three local field correction functions proposed by Hartree (H), Taylor (T) and Ichimaru-Utsumi (IU) are used in the current investigation to study the screening influence on the aforesaid properties. It is observed that the electron-phonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N ₀ V show weak dependences on local field correction functions. The T _c obtained from IU-local field correction function are found an excellent agreement with available theoretical or experimental data. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in metallic glasses.      

Superconducting state parameters of binary metallic glasses

Ashcroft’s empty core (EMC) model potential is used to study the superconducting state parameters (SSPs) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent αand effective interaction strength N _O V of some binary metallic glasses based on the superconducting (S), conditional superconducting (S’) and non-superconducting (NS) elements of the periodic table. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used for the first time with EMC potential in the present investigation to study the screening influence on the aforesaid properties. The T _C obtained from the H-local field correction function are in excellent agreement with available theoretical or experimental data. In the present computation, the use of the pseudo-alloy-atom model (PAA) was proposed and found successful. Present work results are in qualitative agreement with such earlier reported experimental values which confirm the superconducting phase in all metallic glasses. A strong dependency of the SSPs of the metallic glasses on the valence ‘Z’ is identified.      

Atomic and electronic structures of GaAs (001) surface

The atomic and electronic structures of α, β, β₂, and ζ reconstructions for the Ga-terminated GaAs (001)-(4×2) surface are investigated in the framework of the pseudopotential approach. Total, surface, and local densities of electron states, electron-energy spectra, and relative surface energies of the structures under consideration are calculated. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 44–52, October, 2006.     

Lattice mechanical properties of noble and transition metals

A model pseudopotential depending on an effective core radius but otherwise parameter free is used to study the interatomic interactions, phonon dispersion curves (inq and r-space analysis), phonon density of states, mode Grüneisen parameters, dynamical elastic constants (C ₁₁,C ₁₂ andC ₄₄), bulk modulus (B), shear modulus (C′), deviation from Cauchy relation (C ₁₂–C ₄₄), Poisson’s ratio (σ), Young’s modulus (Y), behavior of phonon frequencies in the elastic limit independent of the direction (Y ₁), limiting value in the [110] direction (Y ₂), degree of elastic anisotropy (A), maximum frequencyω _max, mean frequency 〈ω〉, 〈ω ²〉^1/2=(〈ω〉/〈ω ⁻¹〉)^1/2, fundamental frequency 〈ω ²〉, and propagation velocities of the elastic constants in Cu, Ag, Au, Ni, Pd, and Pt. The contribution of s-like electrons is calculated in the second-order perturbation theory for the model potential while that of d-like electrons is taken into account by introducing repulsive short-range Born-Mayer like term. Very recently proposed screening function due to Sarkar et al. has been used to obtain the screened form factor. The theoretical results are compared with experimental findings wherever possible. A good agreement between theoretical investigations and experimental findings has proved the ability of our model potential for predicting a large number of physical properties of transition metals.     

Amorphization and shear microbands near grain boundaries in mechanically alloyed metallic materials

A theoretical model which effectively describes a novel micromechanism of solid-state amorphization in mechanically alloyed metallic materials is proposed. Within the model the amorphous phase nucleates as a result of the intersection of a grain boundary by a plastic-shear microband. It is shown that the growth of a nucleus of the amorphous α-β alloy near a site on a grain boundary intersected by a shear microband is effectively controlled by the rate of diffusion mixing of atoms of the mechanically alloyed metals α and β. Zh. Tekh. Fiz. 67, 35–38 (July 1997)     

Qubit Semantics and Quantum Trees

In the qubit semantics the meaning of any sentence α is represented by a quregister: a unit vector of the n–fold tensor product ⊗ⁿ ℂ², where n depends on the number of occurrences of atomic sentences in α (see Cattaneo et al.). The logic characterized by this semantics, called quantum computational logic (QCL), is unsharp, because the noncontradiction principle is violated. We show that QCL does not admit any logical truth. In this framework, any sentence α gives rise to a quantum tree, consisting of a sequence of unitary operators. The quantum tree of α can be regarded as a quantum circuit that transforms the quregister associated to the occurrences of atomic subformulas of α into the quregister associated to α.     

Temperature dependences of thermal expansion and exchange magnetostriction of holmium and dysprosium single crystals

Information on the character of the temperature relationships of linear expansion coefficients (α_a, α_c) and exchange magnetostrictions (λ_a, λ_a) of single crystal Ho and Dy, based on temperature dependence of thec- anda-axis lattice constants, were accurately determined by X-ray diffraction from 4,2 to 300 K. In the helical phases we observed a large anisotropy of expansion coefficients (α_a>0, α_c<0) and their variations at 24,5, 45 and 96 in Ho and 156 K in Dy. These anomalies were caused by the commensurate transitions. The Curie transition in Ho is found to be of the 1-st order.     

Comment: On charged analogue of shear-free fluids

Recently, Gupta et al. [2] claim that solutions with NDG have no uncharged analogue. This claim seems to be partially correct as it is seen in present article that neutral shear-free fluid (f =α₁ x ^−5/2α₁ being a constant) given by Stephani [3] can be charged.     

Electrical resistivity of K-based liquid binaries

The study of the electrical resistivity of alkali K-based liquid binaries, viz, K _1−x Na _x, K _1−x Rb _x, and K _1−x Cs _x have been made by well recognized model potential. The most recent local field correction functions due to Farid et al. (F) and Sarkar et al. (S) are used for the first time in the study of electrical resistivity of liquid binary mixtures and found suitable for such study. The results due to the inclusion of Sarkar et al.’s local field correction function are found superior to those obtained due to Farid et al.’s local field correction function. The present results compare well the experimental data. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 40–44, August, 2006.     

A pseudopotential approach to the superconducting state parameters of (Ni33Zr67)1? x M x (M=Ti, V, Co, Cu) ternary metallic glasses

Superconductivity in ternary metallic glasses has been investigated using the model pseudopotential approach, which has been found quite successful in explaining superconductivity in metals, binary alloys and binary glasses. It is observed that this simple methodology successfully explains superconducting behaviour of ternary glasses without requiring the solution of Dirac equation for a many body problem or estimation of various interactions as required in ab-initio pseudopotential theory. In the present work superconducting state parameters of fourteen metallic glasses of (Ni-Zr)-M system (M=Ti, V, Co, Cu) have been determined in the BCS-Eliashberg-McMillan framework. It is observed that addition of V, Co, and Cu as the third element (M) to a binary metallic glass (Ni₃₃ Zr₆₇) causes the parameters λ,T _c, α, andN ₀ V to decrease, and Coulomb pseudopotential (μ*) to increase with concentration of M, showing that the presence of third element (M) causes suppression of superconducting behaviour of the alloy. The decrease inT _c with increasing concentration of third element (M) may be attributed to the modifications in density of states at the Fermi levelN(E _F), and probable changes in the band structure of the alloy due to addition of the third element (M). Slight difference is noticed when Ti is added to the Ni₃₃ Zr₆₇ alloy. In this caseT _c rises initially and then decreases with concentration of M, showing a peak at aboutx=0.05. This indicates that on addition of Ti, 3d states grow near the Fermi level and hence contribute substantially toN(E _F), favouring superconducting behaviour in this case. The present results forT _c show an excellent agreement with the experimental data. QuadraticT _c equations have been proposed, which provide successfully theT _c values of ternary metallic glasses under consideration. Paper presented at National Conference on Current Trends in Condensed Matter Research, Warangal, India, September 20–22, 2004.     

Phase control of iron silicides using femtosecond laser irradiation

Phase control of Fe–Si amorphous thin film in micro area is demonstrated using femtosecond laser irradiation. A femtosecond laser beam with a high repetition rate over 200 kHz and tightly focused through an objective lens promotes both crystallization and phase transformation from an amorphous phase into crystalline β-FeSi₂, α-FeSi₂, or ε-FeSi phases. Formation of each crystalline phase is possible by changing the pulse energy or the scanning speed of the incident laser beam.     

On bound state computations in three- and four-electron atomic systems

A variational approach is developed for bound state calculations in three- and four-electron atomic systems. This approach can be applied to determine, in principle, an arbitrary bound state in three- and four-electron ions and atoms. Our variational wave functions are constructed from four- and five-body Gaussoids that respectively depend on six (r ₁₂, r ₁₃, r ₁₄, r ₂₃, r ₂₄, r ₃₄) and ten (r ₁₂, r ₁₃, r ₁₄, r ₁₅, r ₂₃, r ₂₄, r ₂₅, r ₃₄, r ₃₅ and r ₄₅) relative coordinates. The approach allows operating with the more than one electron spin functions. In particular, the trial wave functions for the ¹ S states in four-electron atomic systems include the two independent spin functions χ₁ = αβαβ + βαβα − βααβ − αββα and χ₂ = 2ααββ + 2ββαα − βααβ − αββα − βαβα − αβαβ. We also discuss the construction of variational wave functions for the excited 2³ S states in four- electron atomic systems.     

Screening dependence superconducting state parameters of La100−CGaC binary metallic glasses

The screening dependence theoretical investigations 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 N₀V of six binary La_100−CGa_C (C=16, 20, 22, 24, 26 and 28 at.%) metallic glasses have been reported using Ashcroft's empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. The T_C obtained from H-local field correction function is found in qualitative agreement with available experimental data and show almost linear nature with the concentration (C) of ‘Ga’ element. A linear T_C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.     

Bound states and critical behavior of the Yukawa potential

We investigate the bound states of the Yukawa potential V (r)=−λexp(−αr)/r, using different algorithms: solving the Schr?dinger equation numerically and our Monte Carlo Hamiltonian approach. There is a critical α = α_C, above which no bound state exists. We study the relation between α_C and λ for various angular momentum quantum number l, and find in atomic units, α_C(l) = λ[A ₁ exp(−l/B ₁) + A ₂ exp(−l/B ₂)], with A ₁ = 1.020(18), B ₁ = 0.443(14), A ₂ = 0.170(17), and B ₂ = 2.490(180).     

Thermodynamic properties of cubic ZrC under high pressure from first-principles calculations

The elastic and thermodynamic properties of Zirconium carbide (ZrC) are investigated by ab initio plane-wave pseudopotential density function theory method. The obtained lattice constant, elastic constant and bulk modulus B are consistent with the experimental and theoretical data. Through the quasi-harmonic Debye model, the dependences of the normalized volume V/V ₀ and the bulk modulus B on pressure P, as well as the specific heat C _V on the temperature T are obtained successfully. The relationships of the thermal expansion α with temperature and pressure are also investigated, which indicate the temperature hardly has any effect on the thermal expansion α at high pressure. Supported by the National Natural Science Foundation of China (Grant No. 10776022)     

Addition and spin exchange rate constants by longitudinal field μSR: The Mu+NO reaction

The addition reaction Mu+NO+M→MuNO+M and the spin exchange reaction Mu(↑) +MO(↓)→Mu(↓)+NO(↑) have been measured by longitudinal field μSR at room temperature in the presence of up to 58 atm of N₂ as inert collider. The pressure dependence of the longitudinal relaxation rate due to the addition reaction (λ_c) demostrates that the system is still in the low pressure regime in this pressure range. The corresponding termolecular rate constant has been determined ask _0,Mu =(1.10±0.25)×10⁻³² cm⁶ molecules⁻² s⁻¹, almost 4 times smaller than the corresponding H atom reactionk _0,H=3.90×10⁻³² cm⁶ molecules⁻² s⁻¹ [I.M. Campbell et al., J. Chem. Soc. Faraday Trans. 1.71 (1975) 2097]. The average value of the spin exchange rate constants in the 2.5–58 atm pressure range,k _SE=(3.16±0.06)×10⁻¹⁰ cm³ molecule⁻¹ s⁻¹, is in good agreement with previous values obtained by transverse field μSR [D.G. Fleming et al., J. Chem. Phys. 73 (1980) 2751].     

Equation of state and elastic stiffness constants under pressure of noble metals

Using the total crystal energy expression with the overlap potential energy by Moriarty and with the model pseudopotential by Kulshrestha et al., the pressure-volume relations of noble metals are studied and the obtained results are in good agreement with the observed data. Then, the elastic stiffness constants B, C₄₄ and C′ under pressure are obtained by the homogeneous deformation method, and our calculated data will be useful to describe the typical pressure effect on the elastic constants of noble metals.     

Analysis of the excitation functions of (α, xnyp) reactions on natural copper

Excitation functions of the reactions⁶³Cu[(α, n), (α, 2n)+(α, pn)] and⁶⁵Cu[(α, n), (α, 2n), (α, 3n), (α, 4n)+(α, p3n)] were investigated up to 50 MeV using stacked foil activation technique and Ge(Li) gamma ray spectroscopy method. Since natural copper used as the target has two odd-mass stable isotopes of abundance,⁶³Cu(69.17%) and⁶⁵Cu(30.83%), their activation in some cases, gives the same residual nucleus through different reaction channels but with very different threshold energies. In such cases, the individual reaction cross sections are separated with the ratio of theoretical cross sections. The experimental results were compared with the predictions of preequilibrium hybrid model of Blann. A general agreement was found in all reactions using initial exciton numbern ₀=4(4p0h) and also preequilibrium fraction depends on the incident particle energy.