87 research outputs found
Critical Point Field Mixing in an Asymmetric Lattice Gas Model
The field mixing that manifests broken particle-hole symmetry is studied for
a 2-D asymmetric lattice gas model having tunable field mixing properties.
Monte Carlo simulations within the grand canonical ensemble are used to obtain
the critical density distribution for different degrees of particle-hole
asymmetry. Except in the special case when this asymmetry vanishes, the density
distributions exhibit an antisymmetric correction to the limiting
scale-invariant form. The presence of this correction reflects the mixing of
the critical energy density into the ordering operator. Its functional form is
found to be in excellent agreement with that predicted by the mixed-field
finite-size-scaling theory of Bruce and Wilding. A computational procedure for
measuring the significant field mixing parameter is also described, and its
accuracy gauged by comparing the results with exact values obtained
analytically.Comment: 10 Pages, LaTeX + 8 figures available from author on request, To
appear in Z. Phys.
Bayes Turchin analysis of X ray absorption data above the Fe L2,3 edges
Extended X ray absorption fine structure EXAFS data and magnetic EXAFS MEXAFS data were measured at two temperatures 180 K and 296 K in the energy region of the overlapping L edges of bcc Fe grown on a V 110 crystal surface. In combination with a Bayes Turchin data analysis procedure these measurements enable the exploration of local crystallographic and magnetic structures. The analysis determined the atomic like background together with the EXAFS parameters which consisted of 10 shell radii, the Debye Waller parameters, separated into structural and vibrational components, and the third cumulant of the first scattering path. The vibrational components for 97 different scattering paths were determined by a two parameter force field model using a priori values adjusted to Born von Karman parameters of inelastic neutron scattering data. The investigations of the system Fe V 110 demonstrate that the simultaneous fitting of atomic background parameters and EXAFS parameters can be performed reliably. Using the L2 and L3 components extracted from the EXAFS analysis and the rigid band model, the MEXAFS oscillations can only be described when the sign of the exchange energy is changed compared to the predictions of the Hedin Lundquist exchange and correlation functiona
Local environment of Nitrogen in GaN{y}As{1-y} epilayers on GaAs (001) studied using X-ray absorption near edge spectroscopy
X-ray absorption near-edge spectroscopy (XANES) is used to study the N
environment in bulk GaN and in GaN{y}As{1-y} epilayers on GaAs (001), for y
\~5%. Density-functional optimized structures were used to predict XANES via
multiple-scattering theory. We obtain striking agreement for pure GaN. An alloy
model with nitrogen pairs on Ga accurately predicts the threshold energy, the
width of the XANES ``white line'', and features above threshold, for the given
X-ray polarization. The presence of N-pairs may point to a role for molecular
N_2 in epitaxial growth kinetics.Comment: Four pages (PRL style) with two figure
X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides
The electronic structure of almost stoichiometric cubic (NaCl structure) tantalum carbonitrides TaCxN₁₋x synthesized under high pressure-high temperature conditions (7-10 GPa and 2100-2400°C) was studied employing X-ray photoelectron spectroscopy (XPS), Xray emission spectroscopy (XES) and X-ray absorption spectroscopy (XAS). The XPS valence-band and core-level spectra, the XES Ta Lβ ₅, C Kα and N Kα bands (reflecting energy distributions of mainly the Ta 5d-, C 2p- and N 2p-like states, respectively), as well as the XAS Ta LIII edges (unoccupied Ta d-like states) were derived and compared on a common energy scale for the compounds TaC₀.₉₈, TaC₀.₅₂N₀.₄₉ and TaN₀.₉₇ obtained under the mentioned high pressure-high temperature conditions. To investigate the influence of substitution of carbon atoms by nitrogen in the cubic TaCxN₁₋x system, the cluster self-consistent calculations of the electron density of states for cubic TaC, TaC₀.₅N₀.₅ and TaN compounds were carried out with the FEFF8 code. In the present work a rather good agreement of the experimental and theoretical results for the electronic structure of the TaCxN₁₋x system under consideration was obtained
The effect of the annealing temperature on the local distortion of LaCaMnO thin films
Mn -edge fluorescence data are presented for thin film samples (3000~\AA)
of Colossal Magnetoresistive (CMR) LaCaMnO: as-deposited,
and post-annealed at 1000 K and 1200 K. The local distortion is analyzed in
terms of three contributions: static, phonon, and an extra,
temperature-dependent, polaron term. The polaron distortion is very small for
the as-deposited sample and increases with the annealing temperature. In
contrast, the static distortion in the samples decreases with the annealing
temperature. Although the local structure of the as-deposited sample shows very
little temperature dependence, the change in resistivity with temperature is
the largest of these three thin film samples. The as-deposited sample also has
the highest magnetoresistance (MR), which indicates some other mechanism may
also contribute to the transport properties of CMR samples. We also discuss the
relationship between local distortion and the magnetization of the sample.Comment: 11 pages of Preprint format, 8 figures in one tar fil
Space-time evolution of electron cascades in diamond
Here we describe model calculations to follow the spatio-temporal evolution
of secondary electron cascades in diamond. The band structure of the insulator
has been explicitly incorporated into the calculations as it affects
ionizations from the valence band. A Monte-Carlo model was constructed to
describe the path of electrons following the impact of a single electron of
energy E 250 eV. The results show the evolution of the secondary electron
cascades in terms of the number of electrons liberated, the spatial
distribution of these electrons, and the energy distribution among the
electrons as a function of time. The predicted ionization rates (5-13 electrons
in 100 fs) lie within the limits given by experiments and phenomenological
models. Calculation of the local electron density and the corresponding Debye
length shows that the latter is systematically larger than the radius of the
electron cloud. This means that the electron gas generated does not represent a
plasma in a single impact cascade triggered by an electron of E 250 eV energy.
This is important as it justifies the independent-electron approximation used
in the model. At 1 fs, the (average) spatial distribution of secondary
electrons is anisotropic with the electron cloud elongated in the direction of
the primary impact. The maximal radius of the cascade is about 50 A at this
time. As the system cools, energy is distributed more equally, and the spatial
distribution of the electron cloud becomes isotropic. At 90 fs maximal radius
is about 150 A. The Monte-Carlo model described here could be adopted for the
investigation of radiation damage in other insulators and has implications for
planned experiments with intense femtosecond X-ray sources.Comment: 26 pages, latex, 13 figure
Spatial distribution of photoelectrons participating in formation of x-ray absorption spectra
Interpretation of x-ray absorption near-edge structure (XANES) experiments is
often done via analyzing the role of particular atoms in the formation of
specific peaks in the calculated spectrum. Typically, this is achieved by
calculating the spectrum for a series of trial structures where various atoms
are moved and/or removed. A more quantitative approach is presented here, based
on comparing the probabilities that a XANES photoelectron of a given energy can
be found near particular atoms. Such a photoelectron probability density can be
consistently defined as a sum over squares of wave functions which describe
participating photoelectron diffraction processes, weighted by their normalized
cross sections. A fine structure in the energy dependence of these
probabilities can be extracted and compared to XANES spectrum. As an
illustration of this novel technique, we analyze the photoelectron probability
density at the Ti K pre-edge of TiS2 and at the Ti K-edge of rutile TiO2.Comment: Journal abstract available on-line at
http://link.aps.org/abstract/PRB/v65/e20511
High-precision determination of the critical exponents for the lambda-transition of 4He by improved high-temperature expansion
We determine the critical exponents for the XY universality class in three
dimensions, which is expected to describe the -transition in He.
They are obtained from the analysis of high-temperature series computed for a
two-component model. The parameter is fixed such that
the leading corrections to scaling vanish. We obtain ,
, . These estimates improve previous
theoretical determinations and agree with the more precise experimental results
for liquid Helium.Comment: 8 pages, revte
Asymmetric Fluid Criticality II: Finite-Size Scaling for Simulations
The vapor-liquid critical behavior of intrinsically asymmetric fluids is
studied in finite systems of linear dimensions, , focusing on periodic
boundary conditions, as appropriate for simulations. The recently propounded
``complete'' thermodynamic scaling theory incorporating pressure
mixing in the scaling fields as well as corrections to scaling
, is extended to finite , initially in a grand
canonical representation. The theory allows for a Yang-Yang anomaly in which,
when , the second temperature derivative,
, of the chemical potential along the phase
boundary, , diverges when T\to\Tc -. The finite-size
behavior of various special {\em critical loci} in the temperature-density or
plane, in particular, the -inflection susceptibility loci and the
-maximal loci -- derived from where -- is carefully elucidated and
shown to be of value in estimating \Tc and \rhoc. Concrete illustrations
are presented for the hard-core square-well fluid and for the restricted
primitive model electrolyte including an estimate of the correlation exponent
that confirms Ising-type character. The treatment is extended to the
canonical representation where further complications appear.Comment: 23 pages in the two-column format (including 13 figures) This is Part
II of the previous paper [arXiv:cond-mat/0212145
Universality, the QCD critical/tricritical point and the quark number susceptibility
The quark number susceptibility near the QCD critical end-point (CEP), the
tricritical point (TCP) and the O(4) critical line at finite temperature and
quark chemical potential is investigated. Based on the universality argument
and numerical model calculations we propose a possibility that the hidden
tricritical point strongly affects the critical phenomena around the critical
end-point. We made a semi-quantitative study of the quark number susceptibility
near CEP/TCP for several quark masses on the basis of the
Cornwall-Jackiw-Tomboulis (CJT) potential for QCD in the improved-ladder
approximation. The results show that the susceptibility is enhanced in a wide
region around CEP inside which the critical exponent gradually changes from
that of CEP to that of TCP, indicating a crossover of different universality
classes.Comment: 18 pages, 10 figure
- …