An electron paramagnetic resonance study of the tetragonally distorted [Formula: see text] ion in [Formula: see text] and [Formula: see text

Chromium-doped [Formula: see text] and [Formula: see text] have been studied by both EPR and ENDOR spectroscopy. [Formula: see text] ions enter the fluorite structure in distorted substitution cation sites. In both matrices the distortion observed is tetragonal. X- and Q-band EPR measurements at temperatures between 4 and 300 K allowed us to determine the ion symmetry and the following spin-Hamiltonian parameters: [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text] for [Formula: see text]; and [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text] for [Formula: see text]. For [Formula: see text], the weak superhyperfine interaction of [Formula: see text] with the surrounding [Formula: see text] ions has been studied by both EPR and ENDOR techniques for [Formula: see text]. No ENDOR signals were detected for [Formula: see text]. The results are tentatively explained in terms of a Jahn - Teller effect corresponding to [Formula: see text] coupling strongly stabilized by lattice stresses, although other possible origins for the distortion cannot be completely ruled out.     

Ferroelastic domain freezing and low-frequency elastic behaviour of [Formula: see text] (ALHS)

In this work elastic measurements on [Formula: see text] (ALHS) which were carried out in the low-frequency range between 1 and 50 Hz are presented. The temperature dependence of the inverse elastic compliance [Formula: see text] has been determined between 90 K and 420 K. Distinct anomalies have been found in the temperature dependence of [Formula: see text], which are connected to the motion of domain walls in the ferroelastic phase below [Formula: see text]. Around [Formula: see text] a (partial) ferroelastic `domain freezing' phenomenon has been observed. To the knowledge of the authors this is the first time that pure ferroelastic domain freezing has been reported. However, below [Formula: see text] the domain walls seem to retain a certain vibrational degree of freedom which could be responsible for an additional anomaly of the loss modulus which was observed. The elastic behaviour of a crystal of ALHS is dependent on the `history' of the given sample. During temperature cycling [Formula: see text] shows differences between the first run of heating and cooling and later runs. Finally, some basic insights concerning the domain wall motion were obtained; it was found that the domain wall mobility decreases by three orders of magnitude in the temperature region 170 - 230 K.     

The LUMO-derived band of the [Formula: see text] phases

The LUMO-derived band of the [Formula: see text] compound was investigated by means of x-ray and UV photoemission and photoelectric yield spectroscopies. A double-peak structure is found, with peak maxima at 1.1 eV and 0.35 eV. The relative magnitude of the two peaks is strongly temperature dependent: a large transfer of spectral weight from the lower- to the higher-binding-energy peak takes place upon cooling to 110 K. The peaks are tentatively attributed to the dimer and the polymeric phase respectively. However the behaviour as a function of temperature does not agree with the metastability of the dimer phase at room temperature. The position of the Fermi level is compatible with a correlated system on the border of the metal - insulating transition.     

The Fermi surface of [Formula: see text

The heavy-fermion compound [Formula: see text] has been studied using the fully relativistic spin-polarized mean muffin-tin orbital method within the local density approximation. Two separate calculations, one where the f electron is treated as a valence electron and the other where it is treated as part of the core, have been performed and the Fermi surface is obtained. The angular-dependent de Haas - van Alphen (dHvA) frequencies are calculated in both cases and they are compared with the experimental dHvA frequencies. We also calculated the electron momentum densities and compared them with the electron - positron momentum densities measured from the two-dimensional angular correlation of electron - positron annihilation radiation. The spin polarization of the Fermi surface is analysed and we present a new interpretation of the experimental data of Harrison et al.     

Determination of the chiral structure of [Formula: see text] using anomalous x-ray scattering near the Cs K absorption edge

A structural study of [Formula: see text], grown from aqueous solution, was performed using anomalous x-ray scattering near the Cs K absorption edge to determine an absolute configuration of constituent atoms. The sense of the helical structure of the [Formula: see text] chain was found to be predominantly right-handed through a comparison of observed Bragg Bijvoet ratios with calculated ones. Assuming that [Formula: see text] consists of the two domains (i.e. right- and left-handed helices), we estimate that the volume fraction for the right-handed helix is [Formula: see text].     

Hydrodynamic dispersion in [Formula: see text] -lactoglobulin gels measured by PGSE NMR

The displacement scale dependent molecular dynamics of solvent water molecules flowing through [Formula: see text] -lactoglobulin gels are measured by pulse gradient spin echo (PGSE) nuclear magnetic resonance (NMR). Gels formed under different p H conditions generate structures which are characterized by magnetic resonance imaging (MRI) and PGSE NMR measured dynamics as homogeneous and heterogeneous. The data presented clearly demonstrate the applicability of the theoretical framework for modeling hydrodynamic dispersion to the analysis of protein gels.     

A single-crystal neutron scattering study of lattice melting in ferroelastic [Formula: see text

We present the results of an extensive single-crystal neutron scattering study of the ferroelastic phase transition in [Formula: see text]. This material has previously been demonstrated to undergo a continuous loss of long-range order at its ferroelastic transition, which is the phenomenon known as lattice melting. We show that our data are consistent with a special form of lattice melting where the long-range order appears to be destroyed in a two-dimensional sense, but is preserved in the third dimension.     

Time-reversal-based SU(2) x Sn scalar invariants as (Lie Algebraic) group measures: a structured overview of generalised democratic-recoupled, uniform non-Abelian [AX]n NMR spin systems, as abstract [Formula: see text] chain networks

The physics of dual group scalar invariants (SIs) as (Lie algebraic) group measures (L-GMs) and its significance to non-Abelian NMR spin systems motivates this overview of uniform general-2n [AX](2n) spin evolution, which represents an extensive addendum to Corio's earlier (essentially restricted) view of Abelian spin system SU(2)-based SI-cardinalities. The [Formula: see text] values in [J. Magn. Reson., 134 (1998) 131] arise from strictly linear recoupled time-reversal invariance (TRI) models. In contrast, here we discuss the physical significance of an alternative polyhedral combinatorics approach to democratic recoupling (DR), a property inherent in both the TRI and statistical sampling. Recognition of spin ensemble SIs as being L-GMs over isomorphic algebras is invaluable in many DR-based NMR problems. Various [AX]n model spin systems, including the [AX]3 bis odd-odd parity spin system, are examined as direct applications of these L-GM- and combinatorial-based SI ideas. Hence in place of /SI/=15 (implied by Corio's [Formula: see text] approach), the bis 3-fold spin system cardinality is seen now as constrained to a single invariant on an isomorphic product algebra under L-GMs, in accord with the subspectral analysis of Jones et al. [Canad. J. Chem., 43 (1965) 683]. The group projective ideas cited here for DR (as cf. to graph theoretic views) apply to highly degenerate non-Abelian problems. Over dual tensorial bases, they define models of spin dynamical evolution whose (SR) quasiparticle superboson carrier (sub)spaces are characterised by SIs acting as explicit auxiliary labels [Physica, A198 (1993) 245; J. Math. Chem., 31 (2002) 281]. A deeper [Formula: see text] network-based view of spin-alone space developed in Balasubramanian's work [J. Chem. Phys., 78 (1983) 6358] is especially important, (e.g.) in the study of spin waves [J. Math. Chem., 31 (2002) 363]. Beyond the specific NMR SIs derived here, there are DR applications where a sporadic, still higher, 2n-fold regular uniform spin ensemble exhibits a topological FG duality to some known modest /SI/(2i<2n) cardinality--in principle providing for the (sparce) existence of other /SI/(2n) DR-based values.     

Anomalies in the ion transport of phosphoric acid in water and heavy-water environments

This paper presents the experimentally determined precise transport data - (tracer) diffusion coefficients in both water and heavy-water environments, together with molar conductivity and viscosity of (ortho)phosphoric acid in water over an extended concentration range at [Formula: see text]. The concentration (c) dependence of the diffusion coefficients (D), viscosity [Formula: see text] and molar conductivity [Formula: see text] have been analysed. An anomalous depression in the D - [Formula: see text] curve for both [Formula: see text] - [Formula: see text] and [Formula: see text] - [Formula: see text] systems in the neighbourhood of 0.8 M is observed, which is complementary to the sudden sharp rise observed in the [Formula: see text] curve in the neighbourhood of 0.8 M. Although the occurrence of such an anomaly could be inferred from the earlier conductance, e.m.f. and diffusion data, it was never conclusively inferred earlier. This new set of diffusion and viscosity data clearly delineates anomalies in the ion transport of phosphoric acid.     

Regional and temporal variability of the isotope composition (O, S) of atmospheric sulphate in the region of Freiberg, Germany, and consequences for dissolved sulphate in groundwater and river water

The isotope composition of dissolved sulphate and strontium in atmospheric deposition, groundwater, mine water and river water in the region of Freiberg was investigated to better understand the fate of these components in the regional and global water cycle. Most of the isotope variations of dissolved sulphates in atmospheric deposition from three locations sampled bi- or tri-monthly can be explained by fractionation processes leading to lower [Formula: see text] (of about 2-3‰) and higher [Formula: see text] (of about 8-10‰) values in summer compared with the winter period. These samples showed a negative correlation between [Formula: see text] and [Formula: see text] values and a weak positive correlation between [Formula: see text] and [Formula: see text] values. They reflect the sulphate formed by aqueous oxidation from long-range transport in clouds. However, these isotope variations were superimposed by changes of the dominating atmospheric sulphate source. At two of the sampling points, large variations of mean annual [Formula: see text] values from atmospheric bulk deposition were recorded. From 2008 to 2009, the mean annual [Formula: see text] value increased by about 5‰; and decreased by about 4‰ from 2009 to 2010. A change in the dominating sulphate source or oxidation pathways of SO(2) in the atmosphere is proposed to cause these shifts. No changes were found in corresponding [Formula: see text] values. Groundwater, river water and some mine waters (where groundwater was the dominating sulphate source) also showed temporal shifts in their [Formula: see text] values corresponding to those of bulk atmospheric deposition, albeit to a lower degree. The mean transit time of atmospheric sulphur through the soil into the groundwater and river water was less than a year and therefore much shorter than previously suggested. Mining activities of about 800 years in the Freiberg region may have led to large subsurface areas with an enhanced groundwater flow along fractures and mined-refilled ore lodes which may shorten transit times of sulphate from precipitation through groundwater into river water.     

The effect of Co doping on antiferromagnetic correlations in the Kondo semi-metal CeNiSn

Single-crystal neutron scattering experiments have been performed to study magnetic excitations in [Formula: see text], in which the pseudo-gap of CeNiSn is suppressed by the doping. In CeNiSn there are two inelastic excitation peaks at [Formula: see text] and 4 meV, which correspond to dynamic antiferromagnetic correlations. In [Formula: see text] the 2 meV peak is smeared out, whereas the 4 meV peak becomes very weak and broad, but preserves the same quasi-one-dimensional character as that for CeNiSn. These results suggest the strong relation between the antiferromagnetic correlations and the pseudo-gap formation.     

Complex methyl group and hydrogen-bonded proton motions in terms of the Arrhenius and Schrödinger equations

Equations for the temperature dependence of the spectral densities J(is)(m)(momega(I) +/-omega(T)), where m=1, 2, omega(I) and omega(T) are the resonance and tunnel splitting angular frequencies, in the presence of a complex motion, have been derived. The spin pairs of the protons or deuterons of the methyl group perform a complex motion consisting of three component motions. Two of them involve mass transportation over the barrier and through the barrier. They are characterized by k((H)) (Arrhenius) and k((T)) (Schr?dinger) rate constants, respectively. The third motion causes fluctuations of the frequencies (nomega(I)+/-omega(T)) and it is related to the lifetime of the methyl spin at the energy level influenced by the rotor-bath interactions. These interactions induce rapid transitions, changing the symmetry of the torsional sublevels either from A to E or from E(a) to E(b). The correlation function for this third motion (k((omega)) rate constant) has been proposed by Müller-Warmuth et al. The spectral densities of the methyl group hindered rotation (k((H)), k((T)) and k((omega)) rate constants) differ from the spectral densities of the proton transfer (k((H)) and k((T)) rate constants) because three compound motions contribute to the complex motion of the methyl group. The recently derived equation [Formula: see text] , where [Formula: see text] and [Formula: see text] are the fraction and energy of particles with energies from zero to E(H), is taken into account in the calculations of the spectral densities. This equation follows from Maxwell's distribution of thermal energy. The spectral densities derived are applied to analyse the experimental temperature dependencies of proton and deuteron spin-lattice relaxation rate in solids containing the methyl group. A wide range of temperatures from zero Kelvin up to the melting point is considered. It has been established that the motion characterized by k((omega)) influences the spin-lattice relaxation up to the temperature T(tun) only. This temperature is directly determined by the equation C(p)T=E(H) (thermal energy=activation energy), where C(p) is the molar heat capacity. Probably the cessation of the third motion is a result of the de Broglie wavelength related to this motion becoming too short. As shown recently, the potential barrier can be an obstacle for the de Broglie wave. The theoretical equations derived in this paper are compared to those known in the literature.     

The phase transition in annealed mechanically alloyed Fe - Cu

Using M?ssbauer spectra and x-ray diffraction patterns, annealed mechanically alloyed Fe - Cu has been investigated in this paper. It is found that in [Formula: see text], after it has been milled, fcc-Cu has transformed into bcc-Cu, and some Cu atoms have diffused into the Fe. After the alloy has subsequently been annealed, it is found that bcc-Cu has transformed back into fcc-Cu, while the Cu atoms in the Fe have been separated. In [Formula: see text], after being milled, an fcc-Fe-rich phase has been formed, and after the alloy has subsequently been annealed, this has transformed back to bcc-Fe. The shorter the milling time and the higher the annealing temperature, the faster the transformation. In [Formula: see text], after it has been annealed, the fcc-Fe-rich phase has transformed to bcc-Fe also, and the fcc-Cu-rich phase remains when the annealing temperature increases. All of these results show that the fcc-Fe-rich phase in the milled samples is a metastable phase - it will transform to stable bcc-Fe when it is annealed - while the long-milling-product fcc-Cu-rich phase is a stable phase.     

Magnetic properties of charged spin-1 Bose gases with ferromagnetic coupling

The magnetic properties of a charged spin-1 Bose gas with ferromagnetic interactions are investigated within mean-field theory. It is shown that a competition between paramagnetism, diamagnetism and ferromagnetism exists in this system. It is shown that diamagnetism, being concerned with spontaneous magnetization, cannot exceed ferromagnetism in a very weak magnetic field. The critical value of reduced ferromagnetic coupling of the paramagnetic phase to ferromagnetic phase transition [Formula: see text] increases with increasing temperature. The Landé-factor g is introduced to describe the strength of the paramagnetic effect which comes from the spin degree of freedom. The magnetization density [Formula: see text] increases monotonically with g for fixed reduced ferromagnetic coupling [Formula: see text] as [Formula: see text]. In a weak magnetic field, ferromagnetism makes an immense contribution to the magnetization density. On the other hand, at a high magnetic field, the diamagnetism tends to saturate. Evidence for condensation can be seen in the magnetization density at a weak magnetic field.     

Thermodynamic behaviour of two-dimensional vesicles revisited

We study pressurised self-avoiding ring polymers in two dimensions using Monte Carlo simulations, scaling arguments and Flory-type theories, through models which generalise the model of Leibler, Singh and Fisher (Phys. Rev. Lett. 59, 1989 (1987)). We demonstrate the existence of a thermodynamic phase transition at a non-zero scaled pressure [Formula: see text] , where [Formula: see text] = Np/4[Formula: see text] , with the number of monomers N [Formula: see text] ∞ and the pressure p [Formula: see text] 0 , keeping [Formula: see text] constant, in a class of such models. This transition is driven by bond energetics and can be either continuous or discontinuous. It can be interpreted as a shape transition in which the ring polymer takes the shape, above the critical pressure, of a regular N -gon whose sides scale smoothly with pressure, while staying unfaceted below this critical pressure. Away from these limits, we argue that the transition is replaced by a sharp crossover. The area, however, scales with N(2) for all positive p in all such models, consistent with earlier scaling theories.     

Final-state effects in neutron Compton scattering measurements on zirconium deuteride and beryllium

We report inelastic neutron scattering measurements of the neutron Compton profile, J(y), for Be and for D in polycrystalline [Formula: see text] over a range of momentum transfers, q between 27 and [Formula: see text]. The measurements were performed using the inverse geometry spectrometer eVS which is situated at the UK pulsed spallation neutron source ISIS. We have investigated deviations from impulse approximation (IA) scattering which are generically referred to as final-state effects (FSEs) using a method described by Sears. This method allows both the magnitude and the q dependence of the FSE to be studied. Analysis of the measured data was compared with analysis of numerical simulations based on the harmonic approximation and good agreement was found for both [Formula: see text] and Be. Finally we have shown how [Formula: see text], where V is the interatomic potential, can be extracted from the antisymmetric component of J(y).     

Search for heavy long-lived particles that decay to photons at CDF II

We present the first search for heavy, long-lived particles that decay to photons at a hadron collider. We use a sample of gamma + jet + missing transverse energy events in pp[over] collisions at square root[s] = 1.96 TeV taken with the CDF II detector. Candidate events are selected based on the arrival time of the photon at the detector. Using an integrated luminosity of 570 pb(-1) of collision data, we observe 2 events, consistent with the background estimate of 1.3+/-0.7 events. While our search strategy does not rely on model-specific dynamics, we set cross section limits in a supersymmetric model with [Formula: see text] and place the world-best 95% C.L. lower limit on the [Formula: see text] mass of 101 GeV/c(2) at [Formula: see text].     

The electronic structure of liquid silver chalcogenides: a tight-binding approach

We present a computational study of the electronic structure of the stoichiometric liquid zero-gap semiconductors [Formula: see text], [Formula: see text] and [Formula: see text]. The geometry of the fluids is described by the primitive model of charged hard spheres; the electronic structure is modelled using a tight-binding Hamiltonian. The density of states is computed considering the Madelung potential fluctuations and the topological disorder characteristic of an ionic fluid. Only the introduction of nonzero tight-binding hopping matrix elements - equivalent to the formation of chemical bonds - induces a pseudogap between the chalcogenide conduction band and the silver valence band. The Fermi level can be located in a region of a small density of states; eigenstates at [Formula: see text] are likely to exhibit disorder-induced localization.     

Theoretical and experimental study of the nanoparticle-driven blue phase stabilisation

We have studied theoretically and experimentally the effects of various types of nanoparticles (NPs) on the temperature stability range [Formula: see text] T (BP) of liquid-crystalline (LC) blue phases. Using a mesoscopic Landau-de Gennes type approach we obtain that the defect core replacement (DCR) mechanism yields in the diluted regime [Formula: see text] T (BP)(x) [Formula: see text] 1/(1 - xb) , where x stands for the concentration of NPs and b is a constant. Our calculations suggest that the DCR mechanism is efficient if a local NP environment resembles the core structure of disclinations, which represent the characteristic property of BP structures. These predictions are in line with high-resolution ac calorimetry and optical polarising microscopy experiments using the CE8 LC and CdSe or aerosil NPs. In mixtures with CdSe NPs of 3.5nm diameter and hydrophobic coating the BPIII stability range has been extended up to 20K. On the contrary, the effect of aerosil silica nanoparticles of 7.0nm diameter and hydrophilic coating is very weak.     

Measurements of the strong-interaction widths of the kaonic (3)He and (4)He 2p levels

The kaonic (3)He and (4)He X-rays emitted in the [Formula: see text] transitions were measured in the SIDDHARTA experiment. The widths of the kaonic (3)He and (4)He 2p states were determined to be [Formula: see text], and [Formula: see text], respectively. Both results are consistent with the theoretical predictions. The width of kaonic (4)He is much smaller than the value of [Formula: see text] determined by the experiments performed in the 70's and 80's, while the width of kaonic (3)He was determined for the first time.