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.     

Physical properties of [Formula: see text] polymer electrolytes: nuclear magnetic resonance investigation and comparison with [Formula: see text

The physical properties of the ionic conductor [Formula: see text], obtained by dissolution of lithium trifluoromethanesulphonylimide in poly(propylene oxide), have been investigated for several values of n. The glass transition temperature [Formula: see text] has been established from both DSC and NMR techniques. The diffusion coefficients of [Formula: see text]-containing species have been determined by the pulsed magnetic field gradient technique. The behaviour of the proton relaxation time [Formula: see text] versus temperature and concentration has been correlated to the glass temperature. The behaviour of the proton transverse relaxation function, obtained by the spin-echo technique, has been interpreted using a simple model in which two regimes and consequently two transverse relaxation times coexist and are assigned to the `entangled' and `non-entangled' parts of the high-molecular-weight polymer chains investigated.     

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.     

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.     

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.     

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.     

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].     

The Fermi surface of a superconductor: OsB2

Osmium diboride has been known for some time as a low compressibility material and a superhard material. It is suitable for hard coating applications. It is also a superconductor below 2.1 K. Using first‐principles calculations, the author investigated the geometry of its Fermi surface (FS) and calculated the related physical quantities. The theoretical results are used to predict the frequencies of the Shubnikov–de Haas quantum oscillations. Comparison with recent measurements of the magneto‐resistance oscillations in osmium diboride is made.

     

Fermi surface of LaAg

Electronic structure, especially the Fermi surface, is calculated for the intermetallic rare-earth compound LaAg, known to show the structural phase transition when In is substituted for Ag, by a self-consistent fully-relativistic APW method with the exchange-correlation potential in a local-density approximation. The Fermi surface is found to consist of large hole and electron sheets as well as small hole and electron sheets. This result confirms well the theoretical prediction by Niksch et al. (1987). These Fermi surface sheets are found to explain the experimental results for the de Haas-van Alphen effect by Niksch et al. (1987) and Motoki et al. (1995) reasonably well. But, the frequency branches originating from the large hole sheet have been observed only partially. Local curvature of the large hole sheet is investigated as a possible origin of the disappearance of these frequency branches.     

The Fermi surface of indium and indium-based alloys

The calculation is made of uniaxial stresses applied along [0 0 1] and of hydrostatic pressure inducing topological transitions in indium. The Fermi surface of In_1?xMg_x alloy system is studied at various magnesium concentrations and the character of the change of electronic state density at the Fermi level is analysed.     

Fermi surface of NaxCoO2

Doping evolution of the Fermi surface topology of Na(x)CoO(2) is studied systematically. Both local density approximation (LDA) and local spin density approximation (LSDA) predict a large Fermi surface as well as small hole pockets for doping levels x approximately 0.5. In contrast, the hole pockets are completely absent for all doping levels within LSDA+U. More importantly, we find no violation of Luttinger's rule in this system. The measured Fermi surface of Na(0.7)CoO(2) can be explained by its half-metallic behavior and agrees with our LSDA+U calculations.     

Fermi surface of doped lithium

The Korringa-Kohn-Rostoker method with Green’s function averaged over the atomic configurations in a complex Ising lattice and a muffin-tin potential was used to calculate the electronic-band structure in lithium containing vacancies and s, p, and d impurities. It is shown that substantial changes in the profile of the Fermi surface do not lead to necking, as was postulated previously, but cause splitting of the electronic states at the face of the Brillouin zone. This is attributed to the reduced symmetry of the crystal lattice with impurity excitation of the electronic-subsystem. Fiz. Tverd. Tela (St. Petersburg) 40, 1185–1186 (July 1998)     

Fermi surface effect on intrinsic Lorenz number of Fermi liquids

We investigate a Fermi surface effect on the ideal Lorenz ratio of an anisotropic Fermi liquid caused by the onset of Umklapp scatterings. After discussing simple models by way of illustration, we present numerical results for transition metals, and indicate a material with a simple Fermi surface like sodium cobaltite as a possible candidate to observe the effect.     

The Fermi surface reconstruction in stripe phases of cuprates

Mean-field study of the stripe structures is conducted for a hole-doped Hubbard model. For bond-directed stripes, the Fermi surface consists of segments of an open surface and the boundaries of the hole pockets which appear in the diagonal region of momenta under certain conditions. Segments of the first type are due to one-dimensional bands of states localized on the domain walls. The relation of bands to the doping and temperature dependences of the Hall constant is discussed. In connection with the observation of quantum magnetic oscillations, a systematic search for the electron pockets has been carried out. It is shown that the formation of such pockets in bilayer models is quite possible. The article is published in the original.     

The Fermi surface reconstruction in stripe phases of cuprates

Mean-field study of the stripe structures is conducted for a hole-doped Hubbard model. For bond-directed stripes, the Fermi surface consists of segments of an open surface and the boundaries of the hole pockets which appear in the diagonal region of momenta under certain conditions. Segments of the first type are due to one-dimensional bands of states localized on the domain walls. The relation of bands to the doping and temperature dependences of the Hall constant is discussed. In connection with the observation of quantum magnetic oscillations, a systematic search for the electron pockets has been carried out. It is shown that the formation of such pockets in bilayer models is quite possible.

     

The Fermi surface of In2Bi

De Haas van Alphen experiments in high magnetic fields up to 35 T are presented. Earlier results from lower magnetic field investigations are re-interpreted. A model for the Fermi surface of In₂Bi is proposed, consistent with the available experimental information, using the fact that the energy bands along AL are double-degenerate and that In₂Bi is a compensated metal. The proposed model is essentially a two band model.     

Fermi surface spectroscopy: a magnetic resonance approach

We describe recently-developed GHz magneto-optical techniques which measure the Fermi-surface topologies and superconducting order parameter symmetry in organic molecular metals.     

Fermi resonance on surface polaritons

Fermi resonance on surface polaritons appears when a band of two-particle states of some optical surface phonons lies in the range of the surface polariton frequency variation. It is shown that in this case the dispersion law for surface polaritons has a number of peculiarities, which may well be observable experimentally.     

Fermi surface of sodium and potassium

The deviations of the Fermi surface from sphericity and the Fermi energy of Na and K are calculated using a local model-pseudopotential determined from the measured phonon dispersion curves.