Lattice dynamical study of body-centred tetragonal indium

The phonon dispersion curves, phonon frequency distribution function as well as the lattice specific heat of body-centred tetragonal indium have been deduced using a lattice dynamical model which includes central, angular and volume forces. Six elastic constants, four zone boundary frequencies and an equilibrium condition were used in the evaluation of the force constants. It is shown that this model is elastically consistent and satisfies the symmetry requirements of the lattice, the phonon frequencies of indium deduced from it are in very good agreement with the experimental values of Reichardt and Smith and the theoretical values of Garrett and Swihart, and theθ _D values compare well with the experimental values over a wide temperature range. The apparent discrepancies in the phonon dispersion curves and theθ _D-T curves obtained from deficient models, importance of umklapp processes and the significance of angular forces in the lattice dynamical models are discussed.     

A unified theory of weak interactions

A gauge model for the weak interactions of the leptons (v _e, e, μ, ν_μ) and the quarks (q _p, q_n,qλ,q _p′) is presented in which deviations from universality, such as the Cabibbo suppression, are explicitly and spontaneously generated. The gauge group is, to begin with SU(4). There are three quartets of Higgs scalars with suitable vacuum expectation values, sufficient and necessary to give masses to all gauge bosons. It turns out that this gauge group is too ‘large’ and fails to account for many observed symmetries of weak interactions, especially electron-muon symmetry. This symmetry corresponds to a discrete transformationR which is an element of SU(4). To accommodate it, the gauge group is restricted to the subgroup of SU(4) which commutes withR. There are now 7 gauge bosons, 4 charged and 3 neutral. One pair of charged bosons is necessarily heavier than the other pair (denotedW ^±) and two neutrals are necessarily heavier than the third (W ⁰). The electron and the muon become massive while the neutrinos and the quark fields remain massless. The dominant charged weak currents coupling toW ^± havee-μ universality and Cabibbo universality for both of whichR-symmetry is essential—the Cabibbo angle is a simple function of the vacuum expectation values. The same symmetry ensurese-μ symmetry and the absence of flavour-changing components in the neutral currents. The currents coupling to the heavier gauge bosons break all these symmetries but these bosons can be made arbitrarily heavy and so are relevant only in the domain of ‘ultraweak’ interactions. The Cabibbo angleϑ _c itself is determined by minimising a very general class of Higgs potentials, leading to a numerical valueϑ _c = ±π/8, | tanϑ _c | = √2 − 1 (an alternative solution | tanϑ _c | = (√2+1) is rejected), independent of the parameters and of the precise form of the potential. This is the ‘bare’ϑ _c; in low energy/momentum transfer processes, this value is renormalised by the structure of the hadrons. A model is given for this renormalisation which reduces the renormalised value of | tanϑ _c | to about 0.2–0.3 from the bare value 0.41. Recent data on highly inelastic neutrino interactions are shown to be not inconsistent with | tanϑ _c | = 0.4.     

First-principles study of elastic and vibrational properties of Ni<Subscript>2</Subscript>MnIn magnetic shape memory alloys

We present the results of ab initio calculations of lattice dynamics and the second order elastic stiffness constants of nickel-based magnetic shape memory alloy Ni₂MnIn in stoichiometric composition. The plane wave basis sets and pseudopotential method within spin-polarized generalized gradient approximation (σ-GGA) scheme of the density functional theory (DFT) is applied. Elastic constants are calculated by tetragonal and monoclinic isochoric strains on cubic L2₁ structure. The calculated elastic constants agree very well with the recent ultrasonic experimental data. Phonon dispersion spectra are investigated within linear response technique of the density functional perturbation theory (DFPT). A vibrational anomaly is observed in phonon spectra at the transverse acoustic mode (TA₂) in [ζ ζ0] direction at wavevector ζ = 0.3 as an indication of the structural instability of the system to shear deformation. This anomaly is also verified by the low shear modulus and large elastic anisotropy ratio. Phonon dispersion curves are in excellent agreement with the results of recent neutron diffraction experiments.     

Analytical singlet α s4 QCD contributions into the e+e?-annihilation Adler function and the generalized Crewther relations

The generalized Crewther relations in the channels of the non-singlet and vector quark currents are considered. These relations follow from the double application of the operator product expansion approach to the same axial vector-vector-vector triangle amplitude in two regions, adjoining to the angle sides (x, y) (or p ², q ²). We assume that the generalized Crewther relations in these two kinematic regimes result in the existence of the same perturbation expression for two products of the coefficient functions of annihilation and deepinelastic scattering processes in the non-singlet and vector channels. This feature explains the conformal symmetry motivated cancellations between the singlet α _s ³ corrections to the Gross-Llewellyn Smith sum rule S _GLS of νN deep inelastic scattering and the singlet α _s ³ correction to the e ⁺ e ⁻-annihilation Adler function D _A ^V in the product of the corresponding perturbative series. Taking into account the Baikov-Chetyrkin-Kuhn fourth order result for S _GLS and the perturbative effects of the violation of the conformal symmetry in the generalized Crewther relation, we obtain the analytical contribution to the singlet α _s ⁴ correction to the D _A ^V function. Its a-posteriori comparison with the recent result of direct diagram-by-diagram evaluation of the singlet fourth order corrections to D _A ^V function demonstrates the coincidence of the predicted and obtained ζ₃²-contributions to the singlet term. They can be obtained in the conformal invariant limit from the original Crewther relation. Therefore, on the contrary to previous belief, the appearance of ζ₃-terms in the perturbative series in quantum field theory gauge models does not contradict to the property of the conformal symmetry and can be considered as regular feature. The Banks-Zaks motivated relation between our predicted and the obtained directly fourth order corrections is mentioned. It confirms the expectation, previously made by Baikov-Chetykin-Kuhn, that at the 5-loop level the generalized Crewther relation in the channel of vector currents may receive additional singlet contribution, which in this order of perturbation theory is proportional to the first coefficient of the QCD β function.     

Dendritic and eutectic growth in Sb<Subscript>60</Subscript>Ag<Subscript>20</Subscript>Cu<Subscript>20</Subscript> ternary alloy

The rapid solidification of Sb60Ag20Cu20 ternary alloy was realized by high undercooling method, and the maximum undercooling is up to 142 K (0.18TL). Within the wide undercooling range of 40-142 K, the solidified microstructures are composed of (Sb), θand ε phases. High undercooling enlarges the solute solubility of (Sb) phase, which causes its crystal lattice to expand and its crystal lattice constants to increase. Primary (Sb) phase grows in two modes at small undercoolings non-faceted dendrite growth is the main growth form; whereas at large undercoolings faceted dendrite growth takes the dominant place. The remarkable difference of crystal structures between (Sb) and θphases leads to (θ Sb) pseudobinary eutectic hard to form, whereas strips of θform when the alloy melt reaches the (θ Sb) pseudobinary eutectic line. The cooperative growth of θand ε phases contributes to the formation of (ε θ) pseudobinary eutectic easily. In addition, the crystallization route has been determined via microstructural characteristic analysis and DSC experiment.     

Meson-lepton interaction in the spinor strong interaction theory

The recently developed spinor strong interaction theory, which successfully accounts for linear confinement and classification of mesons as well as unmixed meson spectra, is applied to semileptonic decays of the π,K, D, andB mesons. These mesons themselves generate massM _w for the mediating gauge boson; no Higgs boson is needed. The theory is also applied to purely leptonic interactions. It is shown that the results of the standard electroweak model can be taken over with the Higgs boson replaced by the above mesons. The Cabbibo angle ϑ_C is given by tan ϑ_C=(pion mass)/(kaon mass), in agreement with data. The pion decay constantF is essentially a ratio between two large constants introduced to make certain infinite integrals finite.M _w is also related to a similar cutoff constant. Dragarbrunnsg. 9B.     

Vacuum structure,chiral symmetry breaking and electric dipole moment of neutron

Considering a CP-violating QCD interaction, the electric dipole moment of neutron (EDMN) is estimated in a quark model of light mesons with a dynamical breaking of chiral symmetry through a non-trivial vacuum structure. Pion and kaon, being treated consistently within the model, yield to the constituent quark wave functions as well as the dynamical quark masses and thus determine the constituent quark field operators with respect to light quark flavors. Using the translationally invariant hadronic states and these constituent quark field operators, the EDMN estimated here remains well within the recent experimental bound ofD _n<11 × 10⁻²⁶ e-cm with the CP-violation parameter |ϑ|=10⁻⁸, which in fact accounts for a strong CP-violation.     

Forward dispersion relations and Roy equations in <Emphasis Type="Italic">ππ</Emphasis> scattering

We first review the results of an analysis of ππ interactions in S, P and D waves for the two-pion effective mass from threshold to about 1.4GeV. In particular, we show a recent improvement of this analysis above the Kˉ threshold using more data for phase shifts and including the S0-wave inelasticity from ππ→Kˉ. In addition, we have improved the fit to the f ₂(1270)-resonance and used a more flexible P-wave parametrization above the Kˉ threshold and included an estimation of the D2-wave inelasticity. The better accuracy thus achieved also required a refinement of the Regge analysis above 1.42GeV. Finally, in this work we check that the ππ scattering amplitudes obtained in this approach satisfy remarkably well forward dispersion relations and Roy's equations.     

Classical spin liquid properties of the infinite-component spin vector model on a fully frustrated two dimensional lattice

Thermodynamic quantities and correlation functions (CFs) of the classical antiferromagnet on the checkerboard lattice are studied for the exactly solvable infinite-component spin-vector model, D↦∞. In contrast to conventional two-dimensional magnets with continuous symmetry showing extended short-range order at distances smaller than the correlation length, r ξ _c∝ exp(T ^*/T), correlations in the checkerboard-lattice model decay already at the scale of the lattice spacing due to the strong degeneracy of the ground state characterized by a macroscopic number of strongly fluctuating local degrees of freedom. At low temperatures, spin CFs decay as < >∝ 1/r ² in the range a ₀≪r≪ξ _c∝T ^-1/2, where a₀ is the lattice spacing. Analytical results for the principal thermodynamic quantities in our model are very similar with MC simulations, exact and analytical results for the classical Heisenberg model (D = 3) on the pyrochlore lattice. This shows that the ground state of the infinite-component spin vector model on the checkerboard lattice is a classical spin liquid. Received 16 November 2001 and Received in final form 12 February 2002     

The impact of renormalization group theory on magnetism

The basic issues of renormalization group (RG) theory, i.e. universality, crossover phenomena, relevant interactions etc. are verified experimentally on magnetic materials. Universality is demonstrated on account of the saturation of the magnetic order parameter for T ↦ 0. Universal means that the deviations with respect to saturation at T = 0 can perfectly be described by a power function of absolute temperature with an exponent ε that is independent of spin structure and lattice symmetry. Normally the T^ε function holds up to ~0.85T_c where crossover to the critical power function occurs. Universality for T ↦ 0 cannot be explained on the basis of the material specific magnon dispersions that are due to atomistic symmetry. Instead, continuous dynamic symmetry has to be assumed. The quasi particles of the continuous symmetry can be described by plane waves and have linear dispersion in all solids. This then explains universality. However, those quasi particles cannot be observed using inelastic neutron scattering. The principle of relevance is demonstrated using the competition between crystal field interaction and exchange interaction as an example. If the ratio of crystal field interaction to exchange interaction is below some threshold value the local crystal field is not relevant under the continuous symmetry of the ordered state and the saturation moment of the free ion is observed for T ↦ 0. Crossover phenomena either between different exponents or between discrete changes of the pre-factor of the T^ε function are demonstrated for the spontaneous magnetization and for the heat capacity.     

Raman and infrared spectra of tere-phthalaldehyde

The laser Raman spectrum of tere-phthalaldehyde powder has been recorded on a Jobin Yvonhg 2S spectrophotometer with a~100 mW Argon-Ion laser. The infrared spectrum of the solid substance has been recorded on a Perkin-Elmer 621 spectrophotometer in the region 300–4000 cm^-1 using KBr and nujol mull techniques. The observed frequencies have been assigned in terms of the fundamentals, overtones and combinations assumingD _2h point-group symmetry.     

Theory of melting,vacancy model

A theory of melting based on vacancy model is formulated. The polymer solution theory is used for derivation of the melting equation for a two-species model of melting solid. Under simplifying assumptions the analysis leads to a simple correlation betweenT _m and 〈v〉, the average energy of interaction between the vibrating atoms. Pseudopotential method is used for calculating 〈v〉 for the alkali metals lithium, sodium, potassium and rubidium at temperatureT _m. The calculated values ofT _m〈v〉 are in accord with those expected from our model. Application to the high pressure melting curves of solids is also discussed.     

Chiral SU(4) × SU(4) breaking: masses and decay constants of charmed hadrons

The (4, 4*) ⊕ (4*, 4) model of broken chiral SU (4) × SU (4) symmetry has been used to calculate the third-order coupling constants involving charmed and ordinary pseudoscalar mesons. These coupling constants are exploited to derive some interesting new relations among the masses and decay constants of these charmed particles. Using the known masses and decay constants as inputs, we exploit these relations to predict:F _D = −1·41F _π ,F _F = −1·13F _π ,F _D/F_F = 1·25,m(D _s) = 1·43 GeV,m(F _s) = 1·39 GeV andm(K _s) = 1·02 GeV.     

Cluster approach to the problem of hopping with interactions: oxygen transport in YBa2Cu3O6+x

A method for calculation of hopping transport phenomena in lattices which allows for strong interparticle interactions by means of cluster expansion constructions for transport coefficients is presented. The method developed is applied to the oxygen transfer in YBa₂Cu₃O_6+x taking into account interactions both between oxygen ions in lattice sites and between hopping oxygen in the saddle point and surroundings. It is shown that the oxygen mobility μ decreases as the oxygen content increases in contrast to the chemical diffusivityD which rises withx. The effective activation energiesU _eff forD and μ have peculiarities at the phase transition points. At fixedx valuesU _eff of μ falls by ≈ 0.1– 0.15 eV at the ortho-tetraphase transition whileU _eff ofD practically doesn't change. Paper presented at the 5th Euroconference on Solid State Ionics, Benalmádena, Spain, Sept. 13–20, 1998.     

Quantum chromodynamics predictions in renormalization scheme invariant perturbation theory

It has recently been shown that any physical quantity ℛ, in perturbation theory, can be obtained as a function of only the renormalization scheme (rs) invariants,ρ ₀,ρ ₁,ρ ₂, … Physical predictions, to any given order, are renormalization scheme independent in this approach. Quantum chromodynamics (qcd) predictions to second order, within thisrs-invariant perturbation theory, are given here for several processes. These lead to some novel relations between experimentally measurable quantities, which do not involve the unknownqcd scale parameter Λ. They can therefore be directly confronted with experiments and this has been done wherever possible. It is suggested that these relations can be used to probe the neglected higher order corrections.     

On the homology of lattice vibrations of alkali metals

Investigations of the dependence of lattice vibrations of alkali metals on their interatomic distance,r reveal that they satisfy an empirical relation,Mv ² r =(q), a constant which depends on, with q=2·48 ± 0·19 at all wave vectors and hence are homologous. It is shown that the observed crossover of [00] branches of lithium is not an anomalous property, but only manifests itself in alkali metals with smaller interatomic distance due to small variations of . The role played by interatomic distance which is closely related to that of the electron gas constantC in producing a crossover and a possible reason for the observed homology are discussed.The authors are grateful to Professor B. Sharan and Mr. S. B. Rajendraprasad for many valuable and stimulating discussions. One of the authors (M. S.) is greatly indebted to Professor D. M. Sen, principal, and Professor L. V. Sud of Regional Engineering College, Kurukshetra, for granting him study leave.     

Examples of gauged Laplacians on noncommutative spaces

We present two (classes of) examples of gauged Laplacian operators. The first one is a model of spin-Hall effect on a noncommutative four-sphere S _ϑ ⁴ with isospin degrees of freedom, coming from a noncommutative instanton, and invariant under the quantum group SO _ϑ (5). The second one, a Hall effect on a quantum 2-dimensional sphere S _q ², describes ‘excitations moving on the quantum sphere’ in the field of a magnetic monopole with symmetry coming from the quantum group SU _q (2). For both models, ample symmetries provide a complete diagonalization.     

Spectroscopic properties of trivalent chromium ion in lithium niobate crystals

The formulas of crystal field theory are derived for a particular case of the C _3v symmetry group. Convenient and numerically simple methods are proposed to take into account the polarization of the local environment of the Cr³⁺ impurity ion in LiNbO₃. The parameters of intraion interactions for Cr³⁺ in lithium and niobium positions in the lithium niobate lattice and the distortion of the niobium octahedron in lithium niobate, which is caused by the incorporation of trivalent chromium ion, are determined.     

Factor group theoretical analysis of fundamental vibrations of the H2AsO 4? anion in (C6H9N2)H2AsO4 single crystal

Fundamental (lattice, rotational, and intermolecular) vibrations of the H₂AsO₄⁻ anion in (C₆H₉N₂)H₂AsO₄ crystal are calculated using the correlation theorem based on the group theory. The correlation between anionic site of symmetry C _s and the factor group D _2h of the crystal yields 12 modes for both lattice and rotational vibrations. The infrared and Raman spectra of these modes do not coincide. Addition of two hydrogen atoms to AsO₄⁻ ion yields two As-OH bonds in the H₂AsO₄⁻ anion. As a result, the molecular symmetry is reduced from T _d to C _2υ . The free H₂AsO₄⁻ anion having C _2υ symmetry gives in total 15 fundamental normal vibrations. Under the crystal field splitting effects, the number of intermolecular vibrations for the anion in infrared and Raman spectra is calculated to be 56 active vibrations. The calculated fundamental vibrationsmanifest themselves as the main features in an experimental infrared spectrum.     

Damage spreading on the 3–12 lattice with competing Glauber and Kawasaki dynamics

The damage spreading of the Ising model on the 3–12 lattice with competing Glauber and Kawasaki dynamics is studied. The difference between the two kinds of nearest-neighboring spin interactions (interaction between two 12-gons, or interaction between a 12-gon and a triangle) are considered in the Hamiltonian. It is shown that the ratio of the interaction strengthF between the two kinds of interactions plays an important role in determining the critical temperature T_d of phase transition from frozen to chaotic. Two methods are used to introduce the bond dilution on the Ising model on the 3–12 lattice: regular and random. The maximum of the average damage spreading 〈D〉_max can approach values lower than 0.5 in both cases and the reason can be attributed to the ’survivors’ among the spins. We have also, for the first time, presented the phase diagram of the mixed G-K dynamics in the 3–12 lattice which shows what happens when going from pure Glauber to pure Kawasaki