354 research outputs found

    First Principles Investigation of Ferromagnetism and Ferroelectricity in Bismuth Manganite

    Full text link
    We present results of local spin density approximation (LSDA) pseudopotential calculations for the perovskite structure oxide, bismuth manganite (BiMnO3). The origin of the differences between bismuth manganite and other perovskite manganites is determined by first calculating total energies and band structures of the high symmetry cubic phase, then sequentially lowering the magnetic and structural symmetry. Our results indicate that covalent bonding between bismuth cations and oxygen anions stabilizes different magnetic and structural phases compared with the rare earth manganites. This is consistent with recent experimental results showing enhancement of charge ordering in doped bismuth manganite

    Angular momentum sharing in dissipative collisions

    Full text link
    Light charged particles emitted by the projectile-like fragment were measured in the direct and reverse collision of 93^{93}Nb and 116^{116}Sn at 25 AMeV. The experimental multiplicities of Hydrogen and Helium particles as a function of the primary mass of the emitting fragment show evidence for a correlation with net mass transfer. The ratio of Hydrogen and Helium multiplicities points to a dependence of the angular momentum sharing on the net mass transfer.Comment: 8 pages, 2 figure

    Consequences of local gauge symmetry in empirical tight-binding theory

    Full text link
    A method for incorporating electromagnetic fields into empirical tight-binding theory is derived from the principle of local gauge symmetry. Gauge invariance is shown to be incompatible with empirical tight-binding theory unless a representation exists in which the coordinate operator is diagonal. The present approach takes this basis as fundamental and uses group theory to construct symmetrized linear combinations of discrete coordinate eigenkets. This produces orthogonal atomic-like "orbitals" that may be used as a tight-binding basis. The coordinate matrix in the latter basis includes intra-atomic matrix elements between different orbitals on the same atom. Lattice gauge theory is then used to define discrete electromagnetic fields and their interaction with electrons. Local gauge symmetry is shown to impose strong restrictions limiting the range of the Hamiltonian in the coordinate basis. The theory is applied to the semiconductors Ge and Si, for which it is shown that a basis of 15 orbitals per atom provides a satisfactory description of the valence bands and the lowest conduction bands. Calculations of the dielectric function demonstrate that this model yields an accurate joint density of states, but underestimates the oscillator strength by about 20% in comparison to a nonlocal empirical pseudopotential calculation.Comment: 23 pages, 7 figures, RevTeX4; submitted to Phys. Rev.

    A Superconducting Instability in the Infinite-U Anderson Lattice in the Presence of Crystal Electric Fields

    Full text link
    We report evidence of a superconducting instability (of T1gT_{1g} symmetry) in the infinite-U Anderson lattice in the presence of crystal fields of cubic symmetry. We assume a lattice of 4f4f sites, each with a total angular momentum of J=5/2J=5/2 that is split by crystal fields into a low-lying doublet of Γ7\Gamma_7 symmetry and an excited quartet of Γ8\Gamma_8 symmetry. Slave Bosons on the 4f4f sites create and destroy 4f04f^0 configurations and Lagrange multipliers at each 4f4f site enforce the occupancy constraint due to the infinite Coulomb repulsion. Quasiparticle interactions are due to exchange of 4f4f density fluctuations, which are represented by fluctuations in the slave Bosons and Lagrange multipliers. We use the so-called analytic tetrahedron method to calculate the dressed (to order 1/N) Boson Green functions. In weak couping, the exchange of the dressed Bosons gives rise to a superconducting instability of T1gT_{1g}, xy(x2y2)xy(x^2-y^2), symmetry. The A1gA_{1g}, ``s-wave'', channel has strongly repulsive interactions and hence no pairing instability. The T2gT_{2g} channel exhibits weakly repulsive interactions. Average quasiparticle interactions in the EgE_g, x2y2x^2-y^2, 3z2r23z^2-r^2, channel fluctuate strongly as a function of the number of tetrahedra used to calculate the Bosonic Green functions,Comment: 66 pages+ 17 postscript figures, LATE

    Associations between diet and disease activity in ulcerative colitis patients using a novel method of data analysis

    Get PDF
    BACKGROUND: The relapsing nature and varying geographical prevalence of ulcerative colitis (UC) implicates environmental factors such as diet in its aetiology. METHODS: In order to determine which foods might be related to disease activity in UC a new method of dietary analysis was developed and applied. Eighty-one UC patients were recruited at all stages of the disease process. Following completion of a 7 d diet diary, clinical assessment including a sigmoidoscopic examination (scale 0 (normal mucosa) to 6 (very active disease)) was conducted. Food weights for each person were adjusted (divided) by the person's calorific intake for the week. Each food consumed was given a food sigmoidoscopy score (FSS) calculated by summing the products of the (adjusted) weight of food consumed and sigmoidoscopy score for each patient and occurrence of food and dividing by the total (adjusted) weight of the food consumed by all 81 patients. Thus, foods eaten in large quantities by patients with very active disease have high FSSs and vice versa. Foods consumed by <10 people or weighing <1 kg for the whole group were excluded, leaving 75 foods. RESULTS: High FSS foods were characterized by high levels of the anti-thiamin additive sulfite (Mann-Whitney, p < 0.001), i.e. bitter, white wine, burgers, soft drinks from concentrates, sausages, lager and red wine. Caffeine also has anti-thiamin properties and decaffeinated coffee was associated with a better clinical state than the caffeine containing version. Beneficial foods (average intake per week) included pork (210 g), breakfast cereals (200 g), lettuce (110 g), apples and pears (390 g), milk (1250 ml), melon (350 g), bananas (350 g), bacon (120 g), beef and beef products (500 g), tomatoes (240 g), soup (700 g), citrus fruits (300 g), fish (290 g), yogurt (410 g), cheese (110 g), potatoes (710 g) and legumes (120 g). CONCLUSIONS: The dietary analysis method described provides a new tool for establishing relationships between diet and disease and indicates a potentially therapeutic diet for UC

    From Isotropic to Anisotropic Side Chain Representations: Comparison of Three Models for Residue Contact Estimation

    Get PDF
    The criterion to determine residue contact is a fundamental problem in deriving knowledge-based mean-force potential energy calculations for protein structures. A frequently used criterion is to require the side chain center-to-center distance or the -to- atom distance to be within a pre-determined cutoff distance. However, the spatially anisotropic nature of the side chain determines that it is challenging to identify the contact pairs. This study compares three side chain contact models: the Atom Distance criteria (ADC) model, the Isotropic Sphere Side chain (ISS) model and the Anisotropic Ellipsoid Side chain (AES) model using 424 high resolution protein structures in the Protein Data Bank. The results indicate that the ADC model is the most accurate and ISS is the worst. The AES model eliminates about 95% of the incorrectly counted contact-pairs in the ISS model. Algorithm analysis shows that AES model is the most computational intensive while ADC model has moderate computational cost. We derived a dataset of the mis-estimated contact pairs by AES model. The most misjudged pairs are Arg-Glu, Arg-Asp and Arg-Tyr. Such a dataset can be useful for developing the improved AES model by incorporating the pair-specific information for the cutoff distance

    On the typology and the worship status of sacred trees with a special reference to the Middle East

    Get PDF
    This article contains the reasons for the establishment of sacred trees in Israel based on a field study. It includes 97 interviews with Muslim and Druze informants. While Muslims (Arabs and Bedouins) consider sacred trees especially as an abode of righteous figures' (Wellis') souls or as having a connection to their graves, the Druze relate sacred trees especially to the events or deeds in the lives of prophets and religious leaders. A literary review shows the existence of 24 known reasons for the establishment of sacred trees worldwide, 11 of which are known in Israel one of these is reported here for the first time. We found different trends in monotheistic and polytheistic religions concerning their current worship of sacred trees
    corecore