90 research outputs found
Complex-Orbital Order in Fe_3O_4 and Mechanism of the Verwey Transition
Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied
using a spinless three-band Hubbard model for 3d electrons on the B sites with
the Hartree-Fock approximation and the exact diagonalisation method.
Complex-orbital, e.g., 1/sqrt(2)[|zx> + i |yz>], ordered (COO) states having
noncollinear orbital moments ~ 0.4 mu_B on the B sites are obtained with the
cubic lattice structure of the high-temperature phase. The COO state is a novel
form of magnetic ordering within the orbital degree of freedom. It arises from
the formation of Hund's second rule states of spinless pseudo-d molecular
orbitals in the Fe_4 tetrahedral units of the B sites and ferromagnetic
alignment of their fictitious orbital moments. A COO state with longer
periodicity is obtained with pseudo-orthorhombic Pmca and Pmc2_1 structures for
the low-temperature phase. The state spontaneously lowers the crystal symmetry
to the monoclinic and explains experimentally observed rhombohedral cell
deformation and Jahn-Teller like distortion. From these findings, we consider
that at the Verwey transition temperature, the COO state remaining to be
short-range order impeded by dynamical lattice distortion in high temperature
is developed into that with long-range order coupled with the monoclinic
lattice distortion.Comment: 16 pages, 13 figures, 6 tables, accepted for publication in J. Phys.
Soc. Jp
Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
Recent trends of ab initio studies and progress in methodologies for
electronic structure calculations of strongly correlated electron systems are
discussed. The interest for developing efficient methods is motivated by recent
discoveries and characterizations of strongly correlated electron materials and
by requirements for understanding mechanisms of intriguing phenomena beyond a
single-particle picture. A three-stage scheme is developed as renormalized
multi-scale solvers (RMS) utilizing the hierarchical electronic structure in
the energy space. It provides us with an ab initio downfolding of the global
band structure into low-energy effective models followed by low-energy solvers
for the models. The RMS method is illustrated with examples of several
materials. In particular, we overview cases such as dynamics of semiconductors,
transition metals and its compounds including iron-based superconductors and
perovskite oxides, as well as organic conductors of kappa-ET type.Comment: 44 pages including 38 figures, to appear in J. Phys. Soc. Jpn. as an
invited review pape
Feel4Diabetes healthy diet score: Development and evaluation of clinical validity
Background: The aim of this paper is to present the development of the Feel4Diabetes Healthy Diet Score and to evaluate its clinical validity. Methods: Study population consisted of 3268 adults (63% women) from high diabetes risk families living in 6 European countries. Participants filled in questionnaires at baseline and after 1 year, reflecting the dietary goals of the Feel4Diabetes intervention. Based on these questions the Healthy Diet Score was constructed, consisting of the following components: breakfast, vegetables, fruit and berries, sugary drinks, whole-grain cereals, nuts and seeds, low-fat dairy products, oils and fats, red meat, sweet snacks, salty snacks, and family meals. Maximum score for each component was set based on its estimated relative importance regarding T2DM risk, higher score indicating better quality of diet. Clinical measurements included height, weight, waist circumference, heart rate, blood pressure, and fasting blood sampling, with analyses of glucose, total cholesterol, HDL-cholesterol, LDL-cholesterol, and triglycerides. Analysis of (co) variance was used to compare the Healthy Diet Score and its components between countries and sexes using baseline data, and to test differences in clinical characteristics between score categories, adjusted for age, sex and country. Pearson''s correlations were used to study the association between changes from baseline to year 1 in the Healthy Diet Score and clinical markers. To estimate reproducibility, Pearson''s correlations were studied between baseline and 1 year score, within the control group only. Results: The mean total score was 52.8 ± 12.8 among women and 46.6 ± 12.8 among men (p < 0.001). The total score and its components differed between countries. The change in the Healthy Diet Score was significantly correlated with changes in BMI, waist circumference, and total and LDL cholesterol. The Healthy Diet Score as well as its components at baseline were significantly correlated with the values at year 1, in the control group participants. Conclusion: The Feel4Diabetes Healthy Diet Score is a reproducible method to capture the dietary information collected with the Feel4Diabetes questionnaire and measure the level of and changes in the adherence to the dietary goals of the intervention. It gives a simple parameter that associates with clinical risk factors in a meaningful manner
Direct and converse magnetoelectric effect at resonant frequency in laminar piezoelectric-magnetostrictive composite.
Laminar piezoelectric-magnetostrictive composites using piezoelectric lead
zirconate titanate ceramics and the giant magnetostrictive rare-earth-iron alloy
Terfenol-D were prepared by epoxy bonding. The direct and converse
magnetoelectric (ME) effects at and off the mechanical resonant frequency were
characterized and compared to the theoretical modelling. The mechanical resonant
frequency of the composites depended on the sample orientation and the magnetic
DC bias field. In the longitudinal configuration, the resonant frequency shifted
down monotonically with the increasing bias field. When the sample was in the
transverse configuration, the resonant frequency decreased with the increasing
field at first. However, at higher bias, it shifted up with the increasing bias.
A phenomenological model based on the à  E effect of magnetostrictive materials
is proposed to explain the observed phenomen
METHODS FOR DETERMINING THE FRICTION COEFFICIENT OF THE ROAD SURFACE / TRINTIES KOEFICIENTO SU KELIO DANGA NUSTATYMO METODAI
Pushdown Automata and Constant Height: Decidability and Bounds
It cannot be decided whether a pushdown automaton accepts using constant pushdown height, with respect to the input length, or not. Furthermore, in the case of acceptance in constant height, the height cannot be bounded by any recursive function in the size of the description of the machine. In contrast, in the restricted case of pushdown automata over a one-letter input alphabet, i.e., unary pushdown automata, the above property becomes decidable. Moreover, if the height is bounded by a constant in the input length, then it is at most exponential with respect to the size of the description of the pushdown automaton. This bound cannot be reduced. Finally, if a unary pushdown automaton uses nonconstant height to accept, then the height should grow at least as the logarithm of the input length. This bound is optimal
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