1,407 research outputs found
Superconductivity in Ru substituted BaFe2-xRuxAs2
The occurrence of bulk superconductivity at ~22 K is reported in
polycrystalline samples of BaFe2-xRuxAs2 for nominal Ru content in the range of
x=0.75 to 1.125. A systematic suppression of the spin density wave transition
temperature (TSDW) precedes the appearance of superconductivity in the system.
A phase diagram is proposed based on the measured TSDW and superconducting
transition temperature (TC) variations as a function of Ru composition. Band
structure calculations, indicate introduction of electron carriers in the
system upon Ru substitutiom. The calculated magnetic moment on Fe shows a
minimum at x=1.0, suggesting that the suppression of the magnetic moment is
associated with the emergence of superconductivity. Results of low temperature
and high field Mossbauer measurements are presented. These indicate weakening
of magnetic interaction with Ru substitutionComment: 20 pages 10 figure
Anisotropic Local Stress and Particle Hopping in a Deeply Supercooled Liquid
The origin of the microscopic motions that lead to stress relaxation in
deeply supercooled liquid remains unclear. We show that in such a liquid the
stress relaxation is locally anisotropic which can serve as the driving force
for the hopping of the system on its free energy surface. However, not all
hopping are equally effective in relaxing the local stress, suggesting that
diffusion can decouple from viscosity even at local level. On the other hand,
orientational relaxation is found to be always coupled to stress relaxation.Comment: 4 pages, 3 figure
Energy landscape of a Lennard-Jones liquid: Statistics of stationary points
Molecular dynamics simulations are used to generate an ensemble of saddles of
the potential energy of a Lennard-Jones liquid. Classifying all extrema by
their potential energy u and number of unstable directions k, a well defined
relation k(u) is revealed. The degree of instability of typical stationary
points vanishes at a threshold potential energy, which lies above the energy of
the lowest glassy minima of the system. The energies of the inherent states, as
obtained by the Stillinger-Weber method, approach the threshold energy at a
temperature close to the mode-coupling transition temperature Tc.Comment: 4 RevTeX pages, 6 eps figures. Revised versio
Blue luminescence of Au nanoclusters embedded in silica matrix
Photoluminescence study using the 325 nm He-Cd excitation is reported for the
Au nanoclusters embedded in SiO2 matrix. Au clusters are grown by ion beam
mixing with 100 KeV Ar+ irradiation on Au [40 nm]/SiO2 at various fluences and
subsequent annealing at high temperature. The blue bands above ~3 eV match
closely with reported values for colloidal Au nanoclusters and supported Au
nanoislands. Radiative recombination of sp electrons above Fermi level to
occupied d-band holes are assigned for observed luminescence peaks. Peaks at
3.1 eV and 3.4 eV are correlated to energy gaps at the X- and L-symmetry
points, respectively, with possible involvement of relaxation mechanism. The
blue shift of peak positions at 3.4 eV with decreasing cluster size is reported
to be due to the compressive strain in small clusters. A first principle
calculation based on density functional theory using the full potential linear
augmented plane wave plus local orbitals (FP-LAPW+LO) formalism with
generalized gradient approximation (GGA) for the exchange correlation energy is
used to estimate the band gaps at the X- and L-symmetry points by calculating
the band structures and joint density of states (JDOS) for different strain
values in order to explain the blueshift of ~0.1 eV with decreasing cluster
size around L-symmetry point.Comment: 13 pages, 7 Figures Only in PDF format; To be published in J. of
Chem. Phys. (Tentative issue of publication 8th December 2004
Inherent-Structure Dynamics and Diffusion in Liquids
The self-diffusion constant D is expressed in terms of transitions among the
local minima of the potential (inherent structure, IS) and their correlations.
The formulae are evaluated and tested against simulation in the supercooled,
unit-density Lennard-Jones liquid. The approximation of uncorrelated
IS-transition (IST) vectors, D_{0}, greatly exceeds D in the upper temperature
range, but merges with simulation at reduced T ~ 0.50. Since uncorrelated IST
are associated with a hopping mechanism, the condition D ~ D_{0} provides a new
way to identify the crossover to hopping. The results suggest that theories of
diffusion in deeply supercooled liquids may be based on weakly correlated IST.Comment: submitted to PR
Thermodynamic and structural aspects of the potential energy surface of simulated water
Relations between the thermodynamics and dynamics of supercooled liquids
approaching a glass transition have been proposed over many years. The
potential energy surface of model liquids has been increasingly studied since
it provides a connection between the configurational component of the partition
function on one hand, and the system dynamics on the other. This connection is
most obvious at low temperatures, where the motion of the system can be
partitioned into vibrations within a basin of attraction and infrequent
inter-basin transitions. In this work, we present a description of the
potential energy surface properties of supercooled liquid water. The dynamics
of this model has been studied in great details in the last years.
Specifically, we locate the minima sampled by the liquid by ``quenches'' from
equilibrium configurations generated via molecular dynamics simulations. We
calculate the temperature and density dependence of the basin energy,
degeneracy, and shape. The temperature dependence of the energy of the minima
is qualitatively similar to simple liquids, but has anomalous density
dependence. The unusual density dependence is also reflected in the
configurational entropy, the thermodynamic measure of degeneracy. Finally, we
study the structure of simulated water at the minima, which provides insight on
the progressive tetrahedral ordering of the liquid on cooling
Effect of Minimal lengths on Electron Magnetism
We study the magnetic properties of electron in a constant magnetic field and
confined by a isotropic two dimensional harmonic oscillator on a space where
the coordinates and momenta operators obey generalized commutation relations
leading to the appearance of a minimal length. Using the momentum space
representation we determine exactly the energy eigenvalues and eigenfunctions.
We prove that the usual degeneracy of Landau levels is removed by the presence
of the minimal length in the limits of weak and strong magnetic field.The
thermodynamical properties of the system, at high temperature, are also
investigated showing a new magnetic behavior in terms of the minimal length.Comment: 14 pages, 1 figur
Potential Energy Landscape and Long Time Dynamics in a Simple Model Glass
We analyze the properties of a Lennard-Jones system at the level of the
potential energy landscape. After an exhaustive investigation of the
topological features of the landscape of the systems, obtained studying small
size sample, we describe the dynamics of the systems in the multi-dimensional
configurational space by a simple model. This consider the configurational
space as a connected network of minima where the dynamics proceeds by jumps
described by an appropriate master equation. Using this model we are able to
reproduce the long time dynamics and the low temperature regime. We investigate
both the equilibrium regime and the off-equilibrium one, finding those typical
glassy behavior usually observed in the experiments such as: {\it i)} stretched
exponential relaxation, {\it ii)} temperature-dependent stretching parameter,
{\it iii)} breakdown of the Stokes-Einstein relation, and {\it iv)} appearance
of a critical temperature below which one observes deviation from the
fluctuation-dissipation relation as consequence of the lack of equilibrium in
the system.Comment: 11 pages (Latex), 9 ps figure
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