137 research outputs found
A Monte Carlo study of random surface field effect on layering transitions
The effect of a random surface field, within the bimodal distribution, on the
layering transitions in a spin-1/2 Ising thin film is investigated, using Monte
Carlo simulations. It is found that the layering transitions depend strongly on
the concentration of the disorder of the surface magnetic field, for a
fixed temperature, surface and external magnetic fields. Indeed, the critical
concentration at which the magnetisation of each layer changes the
sign discontinuously, decreases for increasing the applied surface magnetic
field, for fixed values of the temperature and the external magnetic field
. Moreover, the behaviour of the layer magnetisations as well as the
distribution of positive and negative spins in each layer, are also established
for specific values of , , and the temperature . \\Comment: 5 pages latex, 6 figures postscrip
Edge wetting of an Ising three-dimensional system
The effect of edge on wetting and layering transitions of a three-dimensional
spin-1/2 Ising model is investigated, in the presence of longitudinal and
surface magnetic fields, using mean field (MF) theory and Monte Carlo (MC)
simulations. For T=0, the ground state phase diagram shows that there exist
only three allowed transitions, namely: surface and bulk transition, surface
transition and bulk transition. However, there exist a surface intra-layering
temperature , above which the surface and the intra-layering surface
transitions occur. While the bulk layering and intra-layering transitions
appear above an other finite temperature . These
surface and bulk intra-layering transitions are not seen in the perfect
surfaces case.
Numerical values of and , computed by Monte Carlo
method are found to be smaller than those obtained using mean field theory.
However, the results predicted by the two methods become similar, and are
exactly those given by the ground state phase diagram, for very low
temperatures. On the other hand, the behavior of the local magnetizations as a
function of the external magnetic field, shows that the transitions are of the
first order type. and decrease when increasing the
system size and/or the surface magnetic field. In particular,
reaches the wetting temperature for sufficiently large system sizes.Comment: 11 Pages latex, 12 Figures P
Study of the Physical Properties of the EuCoAAs Compound: A DFT approach
In this study, we carried out an investigation of the EuCoAAs
compound, focusing on its various physical properties. Our analysis covered the
structural, magnetic, electronic, optical, thermodynamic and thermoelectric
characteristics of this compound. To carry out this study, we used density
functional theory (DFT) implemented in the Wien2k software package. To
determine the exchange-correlation potential, we used the GGA-PBE (Perdew,
Burke and Ernzerhof) approach, taking spin-orbit coupling (SOC) into account.
Our results indicate that the EuCoAAs compound exhibits metallic
behavior. In addition, we have determined that the compound's stable ground
state is the ferromagnetic (FM) phase. We have also calculated the Debye
temperature and the Gr\"uneisen parameter. In addition, we evaluated various
optical properties, including electron energy loss, absorption coefficient,
real and imaginary dielectric tensors, and real and imaginary optical
conductivity. We found that the compound has excellent absorption
characteristics in the low and mid ultraviolet (UV) spectra. In addition, we
investigated the electrical conductivity, Seebeck coefficient, electronic
conductivity and thermal conductivity of the lattice. The results revealed that
the compound exhibits n-type behavior, with negative values for the Seebeck
coefficient. These results are analyzed in detail and provide valuable
information on the properties of the EuCoAAs compound. Additionally,
the computed parameters were compared to those found in the literature. A good
deals have been revealed with the existing results.Comment: 26 pages, 7 figures, 3 table
Structural, electronic, and magnetic properties of ZnTe doped with transition metal Mn
In this article, we examine the structure and the electronic, optical, and
magnetic properties of ZnTe before and after doping with the transition metal
Mn. The ab initio calculations of this compound were performed using the full
potential linearized extended full potential planar waveform (FP-LAPW) in the
context of density functional theory (DFT) implemented in the Wien2K code. The
potential for exchange and correlation was addressed by the generalized
gradient approximation (GGA) approximation. The electronic properties show that
the ZnTe material exhibits semiconductor behavior before doping. As a result,
it becomes semimetal after doping. The findings attained by Monte Carlo
simulations display that the ZnMnTe material goes from an antiferromagnetic
phase to the paramagnetic phase at the Neel temperature value TN =159.31 K
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