25,878 research outputs found
Electronic Structure and Magnetic Properties of Y4co3
The electronic structure of YCo has been studied based on the
density functional theory within the local-density approximation. The
calculation indicates that YCo is very close to ferromagnetic
instability. The Fermi surfaces are composed mainly of 3d electrons of Co and
4d electrons of Y
Varying Cu-Ti hybridization near the Fermi energy in CuTiSe: Results from supercell calculations
The properties of CuTiSe are studied by band structure
calculation based on the density functional theory for supercells. The
density-of-states (DOS) for =0 has a sharply raising shoulder in the
neighborhood of the Fermi energy, , which can be favorable for spacial
charge modulations. The Cu impurity adds electrons and brings the DOS shoulder
below . Hybridization makes the Ti-d DOS at , the electron-phonon
coupling and the Stoner factor very large. Strong pressure dependent properties
are predicted from the calculations, since the DOS shoulder is pushed to higher
energy at a reduced lattice constant. Effects of disorder are also expected to
be important because of the rapidly varying DOS near .Comment: 5 pages, 4 figures 2 table
Interactions between Membrane Inclusions on Fluctuating Membranes
We model membrane proteins as anisotropic objects characterized by
symmetric-traceless tensors and determine the coupling between these
order-parameters and membrane curvature. We consider the interactions between
transmembrane proteins that respect up-down (reflection) symmetry of bilayer
membranes and that have circular or non-circular cross-sectional areas in the
tangent-plane of membranes. Using a field theoretic approach, we find
non-entropic interactions between reflection-symmetry-breaking
transmembrane proteins with circular cross-sectional area and entropic
interactions between transmembrane proteins with circular
cross-section that do not break up-down symmetry in agreement with previous
calculations. We also find anisotropic interactions between
reflection-symmetry-conserving transmembrane proteins with non-circular
cross-section, anisotropic interactions between
reflection-symmetry-breaking transmembrane proteins with non-circular
cross-section, and non-entropic many-particle interactions among
non-transmembrane proteins. For large , these interactions might provide the
dominant force inducing aggregation of the membrane proteins.Comment: REVTEX, 29 pages with 4 postscript figures compressed using uufiles.
Introduction and Discussion sections revised. To appear in J. Phys. France I
(September
Disclination Asymmetry in Deformable Hexatic Membranes and the Kosterlitz-Thouless Transitions
A disclination in a hexatic membrane favors the development of Gaussian
curvature localized near its core. The resulting global structure of the
membrane has mean curvature, which is disfavored by curvature energy. Thus a
membrane with an isolated disclination undergoes a buckling transition from a
flat to a buckled state as the ratio of the bending rigidity
to the hexatic rigidity is decreased. In this paper we
calculate the buckling transition and the energy of both a positive and a
negative disclination. A negative disclination has a larger energy and a
smaller critical value of at buckling than does a positive
disclination. We use our results to obtain a crude estimate of the
Kosterlitz-Thouless transition temperature in a membrane. This estimate is
higher than the transition temperature recently obtained by the authors in a
renormalization calculation.Comment: REVTEX, 16 pages with 5 postscript figures compressed using uufiles.
Accepted for publication in J. Phys. France
General polygamy inequality of multi-party quantum entanglement
Using entanglement of assistance, we establish a general polygamy inequality
of multi-party entanglement in arbitrary dimensional quantum systems. For
multi-party closed quantum systems, we relate our result with the monogamy of
entanglement to show that the entropy of entanglement is an universal
entanglement measure that bounds both monogamy and polygamy of multi-party
quantum entanglement.Comment: 4 pages, 1 figur
Limitations on the extent of off-center displacements in TbMnO3 from EXAFS measurements
We present EXAFS data at the Mn K and Tb L3 edges that provide upper limits
on the possible displacements of any atoms in TbMnO3. The displacements must be
less than 0.005-0.01A for all atoms which eliminates the possibility of
moderate distortions (0.02A) with a small c-axis component, but for which the
displacements in the ab plane average to zero. Assuming the polarization arises
from a displacement of the O2 atoms along the c-axis, the measured polarization
then leads to an O2 displacement that is at least 6X10^{-4}A, well below our
experimental limit. Thus a combination of the EXAFS and the measured electrical
polarization indicate that the atomic displacements likely lie in the range
6X10^{-4} - 5X10^{-3}A.Comment: submitted to PRB; 11 pages (preprint form) 7 figure
The Effect of Integrating Travel Time
This contribution demonstrates the potential gain for the quality of results
in a simulation of pedestrians when estimated remaining travel time is
considered as a determining factor for the movement of simulated pedestrians.
This is done twice: once for a force-based model and once for a cellular
automata-based model. The results show that for the (degree of realism of)
simulation results it is more relevant if estimated remaining travel time is
considered or not than which modeling technique is chosen -- here force-based
vs. cellular automata -- which normally is considered to be the most basic
choice of modeling approach.Comment: preprint of Pedestrian and Evacuation 2012 conference (PED2012)
contributio
Electronic structure and magnetism of YbRhSn
Abstract.: The electronic band structure of YbRhSn has been calculated using the self-consistent full potential nonorthogonal local orbital minimum basis scheme based on the density functional theory. We investigated the electronic structure with the spin-orbit interaction and on-site Coulomb potential for the Yb-derived 4f orbitals to obtain the correct ground state of YbRhSn. The exchange interaction between local f electrons and conduction electrons play an important role in the heavy fermion characters of them. The fully relativistic band structure scheme shows that spin-orbit coupling splits the 4f states into two manifolds, the 4f7/2 and the 4f5/2 multiple
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