On the theory of light scattering in molecular liquids

The theory of light scattering for a system of linear molecules with anisotropic polarizabilities is considered. As a starting point for our theory, we express the result of a scattering experiment in VV and VH symmetry as dynamic correlation functions of tensorial densities ρ _lm(q) with l = 0 and l = 2. l, m denote indices of spherical harmonics. To account for all observed hydrodynamic singularities, a generalization of the theory of Schilling and Scheidsteger [1] for these correlation functions is presented, which is capable to describe the light scattering experiments from the liquid regime to the glassy state. As a microscopic theory it fulfills all sum rules contrary to previous phenomenological theories. We emphasize the importance of the helicity index m for the microscopic theory by showing, that only the existence of m = 1 components lead to the well known Rytov dip in liquids and to the appearance of transversal sound waves in VH symmetry in the deeply supercooled liquid and the glass. Exact expressions for the phenomenological frequency dependent rotation translation coupling coefficients of previous theories are derived. Received 3 July 2000 and Received in final form 7 November 2000     

Surface visco-elastic moduli of a Langmuir film of a polystyrene-polydimethyl siloxane block copolymer at the air-ethyl benzoate interface

Surface quasi-elastic light scattering has been applied to a spread film of a block copolymer of polystyrene and polydimethyl siloxane. The influence of surface concentration (surface pressure) at a fixed surface wave number has been explored. The capillary wave frequency and damping showed a similar dependence on the surface concentration as values obtained earlier, but due to a more appropriate analysis of the correlation functions, surface visco-elastic moduli obtained were distinctly different. By correlating the values obtained with the variations in solvated polystyrene layer thickness from neutron reflectometry, the maximum in dilational modulus was shown to occur at the same nominal surface concentration where the layer begins to stretch and take on brush-like behaviour. This same surface concentration is where the relaxation time of the spread film also has a maximum value, the relaxation time being calculated using the standard linear model of visco-elasticity, which was found to fit the frequency dependence of the surface tension and dilational moduli at the resonant nominal surface concentration of 3.1 mg m^-2. Received 21 August 2001 and Received in final form 11 January 2002     

Bose-Einstein transition in a dilute interacting gas

We study the effects of repulsive interactions on the critical density for the Bose-Einstein transition in a homogeneous dilute gas of bosons. First, we point out that the simple mean field approximation produces no change in the critical density, or critical temperature, and discuss the inadequacies of various contradictory results in the literature. Then, both within the frameworks of Ursell operators and of Green's functions, we derive self-consistent equations that include correlations in the system and predict the change of the critical density. We argue that the dominant contribution to this change can be obtained within classical field theory and show that the lowest order correction introduced by interactions is linear in the scattering length, a, with a positive coefficient. Finally, we calculate this coefficient within various approximations, and compare with various recent numerical estimates. Received 15 July 2001     

Self-affine random surfaces

We consider general d-dimensional random surfaces that are characterized by power-law power spectra defined in both infinite and finite spectral regions. The first type of surfaces belongs to the class of ideal fractals, whereas the second possess both the smallest and the largest scales and physically is more realistic. For both types we calculate the structure functions (SF) exactly; in addition for the second type we obtain the SF's asymptotic expansions. On this basis we show that the surfaces are (in statistical sense) self-affine and approximately self-affine, respectively. Depending on the value of the spectral exponent, we find imbalance between the finite size effects which results in systematic discrepancy in the scaling properties between the two types of surfaces. Explicit expressions for the topothesy, and in the case of second type of surfaces for the large correlation length and cross-over distances are also derived. Received 3 October 2001 / Received in final form 5 March 2002 Published online 2 October 2002 RID="a" ID="a"e-mail: oyordanov@aubg.bg     

New parameterization of the trinucleon wave function and its application to the π <Superscript>3</Superscript>He scattering length

We present a new parameterization of the trinucleon wave function. As a novel feature a separable parameterization for the complete wave function is given. In this way any calculation that considers two-body currents only is largely simplified. To demonstrate this we calculate the π³He scattering length in chiral-perturbation theory. We find reasonable agreement with experimental values inferred from data on level shifts in pionic ³He bound states. The relevance of the π-triton system for an alternative determination of the πN scattering lengths is discussed. Received: 12 August 2002 / Accepted: 25 November 2002 / Published online: 25 February 2003 RID="a" ID="a"e-mail: c.hanhart@fz.juelich.de Communicated by V. Vento     

Long-range Coulomb forces in DIS: missed radiative corrections?

The Born approximation, one photon exchange, used for DIS (deep inelastic scattering) is subject to virtual radiative corrections which are related to the long-range Coulomb forces. They may be sizeable for heavy nuclei since Zα is not a small parameter. So far, these corrections are known only for two processes, elastic scattering and bremsstrahlung on the Coulomb field of a point-like target. While the former amplitude acquires only a phase, in the latter case also the cross-section is modified. Although the problem of Coulomb corrections for DIS on nuclei is extremely difficult, it should be challenged rather than “swept under the carpet”. The importance of these radiative corrections is questioned in the present paper. We show that, in the simplest case of a constant hadronic current, the Coulomb corrections provide a phase to the Born amplitude, therefore the cross-section remains the same. Inclusion of more realistic hadronic dynamics changes this conclusion. The example of coherent production of vector mesons off nuclei reveals large effects. So far a little progress has been made deriving lepton wave functions in the Coulomb field of an extended target. Employing available results based on the first-order approximation in Zα, we conclude that the Coulomb corrections are still important for heavy nuclei. We also consider an alternative approach for extended nuclear targets, the eikonal approximation, which we demonstrate to reproduce the known exact results for Coulomb corrections. Calculating electroproduction of vector mesons, we again arrive at a large deviation from the Born approximation. We conclude that one should accept with caution the experimental results for nuclear effects in DIS based on analyses done in the Born approximation. Received: 16 May 2001 / Accepted: 4 July 2001     

Renormalization group analysis of weakly charged polyelectrolytes

We present a field-theoretic Renormalization Group (RG) analysis of the statistical mechanics of long flexible, screened polyelectrolyte chains (Debye-Hückel chains) in polar solvents where the screening length is of the order of the chain size. A systematic analysis of the resulting field theory shows that the system is one with two length-scales requiring the calculation of scaling functions as well as exponents to fully describe its physical behaviour. This means that care must be taken to understand the interplay of the length-scales. Using the RG we identify the relevant scaling variables and explicitly calculate the scaling behaviour of the end-to-end distance for single chains. In addition we consider the many-chain system and calculate the scaling behaviour of the osmotic pressure of a dilute solution of chains. Received 16 December 1999 and Received in final form 13 December 2000     

Coherence properties of two trapped particles

We analyse the coherence properties of two particles trapped in a one-dimensional harmonic potential. This simple model allows us to derive analytic expressions for the first and second order coherence functions. We investigate their properties depending on the particle nature and the temperature of the quantum gas. We find that at zero temperature non-interacting bosons and fermions show very different correlations, while they coincide for higher temperatures. We observe atom bunching for bosons and atom anti-bunching for fermions. When the effect of s-wave scattering between bosons is taken into account, we find that the range of coherence is enhanced or reduced for repulsive or attractive potentials, respectively. Strongly repelling bosons become in some way more “fermion-like" and show anti-bunching. Their first order coherence function, however, differs from that for fermions. Received 19 September 2002 Published online 4 February 2003     

Analytical calculation of fusion cross-sections

We analyse the fusion cross-sections, calculated by using two different analytical parameterisations and compare them with the experimental data. Both the parameterisations are based on ion-ion potentials calculated within the framework of Skyrme energy density formalism. In the first case, the ion-ion potential (including the spin-density term) was parameterised and then, by adding the Coulomb potential, one could compute the fusion barrier analytically. In the second case, the calculated fusion barrier heights and positions were parameterised directly. Both of these (previously) reported parameterisations are used here to calculate the fusion barriers and fusion excitation functions for more than 50 reactions belonging to the s-d and f-shell nuclei. A detailed comparison of these parametrisations with the experimental and several other theoretical results shows that both of these parameterisations are able to reproduce the experimental data equally well. As the (second) direct parameterisation depends only on the charges and masses of colliding nuclei, it is very useful for predicting/ understanding the fusion process in low energy heavy-ion reactions. Received: 24 February 1999 / Accepted: 16 March 2000     

Exploring the <Superscript> 6</Superscript>He continuum sea through proton inelastic collisions

The p-⁶He inelastic scattering at 700 MeV u^-1 is studied using Multiple Scattering expansion of the total Transition amplitude (MST) framework with a pseudo-state representation of ⁶He continuum. We show that the differential cross sections calculated with two different pseudo-state bases are in good agreement.     

Dispersion relation formalism for virtual Compton scattering off the proton

We present in detail a dispersion relation formalism for virtual Compton scattering (VCS) off the proton from threshold into the Δ(1232)-resonance region. Such a formalism can be used as a tool to extract the generalized polarizabilities of the proton from both unpolarized and polarized VCS observables over a larger energy range. We present calculations for existing and forthcoming VCS experiments and demonstrate that the VCS observables in the energy region between pion production threshold and the Δ(1232)-resonance show an enhanced sensitivity to the generalized polarizabilities. Received: 14 March 2001 / Accepted: 18 June 2001     

Random phase approximation and extensions applied to a bosonic field theory

An application of a self-consistent version of RPA to quantum field theory with broken symmetry is presented. Although our approach can be applied to any bosonic field theory, we specifically study the ϕ⁴ theory in 1 + 1 dimensions. We show that the standard RPA approach leads to an instability which can be removed when going to a superior version, i.e. the renormalized RPA. We present a method based on the so-called charging formula of the many-electron problem to calculate the correlation energy and the RPA effective potential. Received: 18 February 2002 / Accepted: 8 May 2002     

Calculations of ferromagnetic surface dynamics using the Green's functions theory and matching procedure

A Heisenberg model is employed to study the spin fluctuation dynamics on a (001) ferromagnetic surface using a new theoretical formalism. The solution of the full magnetic problem arising from the absence of magnetic translation symmetry in one dimension due to the presence of a magnetic surface is presented. The calculations are described using simultaneously a closed form of the spin-wave Green's function and the matching procedure in the random-phase approximation. Analytic expressions for the Green's functions are also derived in a low-temperature spin-wave approximation. The theoretical approach determines the bulk and evanescent spin fluctuation fields in the two dimensional plane normal to the surface. The results are used to calculate the localised modes of magnons associated with the surface. Numerical examples of the modes are given and they are found to exhibit various effects due to the interplay between the bulk and surface modes. It is shown that there may be surface spin-waves that decay in amplitude with distance into the bulk domain. Also the bulk spin fluctuations field as well as the magnons localised at the surface depend on the nature of the bulk-surface coupling exchange. The unstable surface magnetic configurations are illustrated and discussed. The results derived from the dynamic correlation functions between a pair of spin operators at any two sites are employed to evaluate the spin deviation in the ferromagnet due to localised surface modes obtained by the matching procedure as a function of temperature. Received 21 April 2002 / Received in final form 25 October 2002 Published online 14 March 2003     

Study of oxygen-C 60 compound formation by NEXAFS and RIXS

The interaction of oxygen with C₆₀ molecules was studied on a C₆₀ film which had been exposed simultaneously to oxygen and UV-light for 190 hours, producing an approximately C₆₀O₁ stoichiometry in the bulk of the sample. C K-edge and O K-edge NEXAFS (using total fluorescence yield detection) and resonant X-ray inelastic scattering (RIXS) spectra from the sample film were measured and the C K-edge data were compared to the spectra from pristine C₆₀ as reference. The C K-edge absorption and emission spectral profiles of the oxygen-doped sample are similar to those of the C₆₀ reference, suggesting that cage breaking of C₆₀ under these conditions, if any, is negligible. However, the redistribution of intensities in the spectra indicates changes in the occupancies of different molecular orbitals, possibly due to changes in electron density upon reaction. Similarities of the O K-edge soft X-ray emission (SXES) spectra to several small oxygen-containing molecules is being discussed in terms of bonding models. Received 4 December 2000     

High frequency sound and the boson peak in amorphous silica

We present the results of extensive molecular dynamics computer simulations in which the high frequency dynamics of silica, i.e. for frequencies ν > 0.5 THz, is investigated in the viscous liquid state as well as in the glass state. We characterize the properties of high frequency sound modes by analyzing J _l(q,ν) and J _t(q,ν), the longitudinal and transverse current correlation function, respectively. For wave-vectors q > 0.4 ?^-1 the spectra are sitting on top of a flat background. The dynamic structure factor S(q,ν) exhibits for q > 0.23 ?^-1 a boson peak which is located nearly independent of q around 1.7 THz and for which the intensity scales approximately linearly with temperature. We show that the low frequency part of the boson peak is mainly due to the elastic scattering of transverse acoustic modes with frequencies around 1 THz. The strength of this scattering depends on q and is largest around q = 1.7 ?^-1, the location of the first sharp diffraction peak in the static structure factor. By studying S(q,ν) for different system sizes we show that strong finite size effects are present in the low frequency part of the boson peak in that for small systems part of its intensity is missing. We discuss the consequences of these finite size effects for the structural relaxation. Received 27 June 2000 and Received in final form 9 January 2001     

Lyotropic bicontinuous cubic phase single crystals investigated using high-resolved X-ray scattering

Single crystals of an Ia d bicontinuous direct cubic phase formed by a non-ionic surfactant in water are investigated using high-resolved X-ray diffraction. The shape of the Bragg peaks confirms the existence of a 3D long-range order inside the cubic phase. A weak diffuse scattered intensity signal is measured very near the Bragg peaks. We attribute this signal to thermal diffuse scattering (TDS) and we give an estimation of the contribution of elastic waves to this TDS. Received 4 May 2000     

Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices

Epitaxial Co/Mn multilayers (0.75 to 6 nm Co, 0.4 nm Mn layer thickness) have been grown on mica substrates covered by a (0002) Ru buffer layer. The structural properties of these layers have been studied using X-ray diffraction, nuclear magnetic resonance (NMR), and high resolution transmission electron microscopy (HRTEM). The Co layers, grown as face centred cubic (fcc), were found to be stabilised by the very thin Mn layers. Data obtained using X-ray diffraction and NMR were analysed and found to be in good agreement, while Monte-Carlo simulations were used to interpret the data and calculate the expected diffracted intensity and NMR spectra. The HRTEM data show that the Mn layers give rise to a large strain contrast extending, in the growth direction, over a distance which exceeds the thickness of the Mn layers. The superlattices could be described as having an fcc structure containing randomly located stacking faults with varying densities. The results verify the presence of a dominant, almost perfect phase of fcc stacking, and of a faulted hcp phase, while the number of defects increases with the Co layer thickness. Received 27 October 1999 and Received in final form 29 May 2000     

X-ray scattering study of the phase transitions in crystalline fullerene-biphenyl C 60 [(C 6 H 5 ) 2 ]

The phase diagram of the newly synthesized mixed crystal C₆₀-biphenyl is investigated as a function of temperature by single-crystal X-ray scattering. Diffuse scattering investigations evidencing complex disorder and local order effects are presented. Two phase transitions leading to two different doublings of the high temperature unit cell are observed, at 212 K and 147 K. The first transition is attributed to the ordering of twisted biphenyls, which couples to the orientational ordering of the C₆₀ molecules as the temperature decreases. Full ordering of the C₆₀ molecules is achieved below 100 K only, in the low temperature phase. The rich phase diagram of C₆₀-biphenyl is due to the interplay between fullerene and biphenyl ordering phenomena. Received 31 August 2001 and Received in final form 4 December 2001