0000000000185740
AUTHOR
H. Aourag
showing 18 related works from this author
Analytical investigation of solitary waves in nonlinear Kerr medium
2004
Abstract We study analytically the solution of nonlinear equation which result from the propagation of electromagnetic waves within a nonlinear Kerr medium. The medium is characterized by a dielectric constant which varies periodically and depends on the local field intensity. As a first step, we detail the resolution of the nonlinear equations with a quadratic nonlinearity. After that, we apply the slowly varying envelope approximation to obtain a Sine–Gordon equation. In this kind of nonlinearity, a gap solitons occurs. Moreover we verify that the solutions of the nonlinear equation for all frequencies within the gap are solitons solutions. After that we study the conditions of apparition…
Correlation between the Ionicity Character and the Charge Density in Semiconductors
1994
Using the electronic charge densities obtained by the empirical pseudopotential method for tetrahedrally bonded semiconductors, an ionicity scale is established that is in good agreement with the Phillips ionicity scale.
Electronic momentum distribution in the one-dimensional extended Hubbard model: determinantal Monte Carlo study
2002
Abstract The effect of electron–electron (e–e) interaction on trans -polyacetylene ( t -PA) properties is investigated within the framework of an extended Hubbard model in one dimension. For numerical calculation, we use the determinantal version of quantum Monte Carlo approach, which provides a breakthrough to simulate statistical fluctuations in the systems with many degrees of freedom, in order to obtain mean values for observables of physical interest. This allows one to analyze the discrete system of fermions without encountering the numerical instabilities that generally occur from the original problem involving anticommuting fermion operators. We calculate the electronic momentum dis…
Numerical study of photolithography system: electromagnetic differential method
2004
The R-matrix propagation algorithm is incorporated into the differential method to achieve an extended capability for modelling a photolithography systems. We show throughout this work the ability of the R-matrix algorithm and differential method to analyse gratings of arbitrary depth, profile, and conductivity without encountering numerical instabilities. We calculate the field intensity and the transmitted amplitudes in the 0 and −1 orders below different masks. We study also the influence of the various parameters (incidence, groove spacing, groove depth and index of refraction) on the field intensity maps and the transmittivity power. These results agree with the experimental patent: we…
Quantum Monte Carlo study of insulating state in NaV2O5
2003
Abstract Quantum Monte Carlo (QMC) methods are being increasingly used as complements to Hartree–Fock (HF) methods for computing the electronic structure of molecules and materials. We investigate the nature of the insulating state driven by electronic correlations in the ladder compound NaV 2 O 5 ; considered as a quarter-filled system. We use an extended Hubbard model (EHM) to study the role of on-site and inter-site Coulomb interaction. It is found that the insulating state in the charge-disordered phase of this compound take origin from the transfer of spectral density and dynamical fluctuations. Our calculation allows us also, to understand the origin of the insulating states above T C…
Zinc-blende AlN and GaN under pressure: structural, electronic, elastic and piezoelectric properties
2004
In this paper we report a theoretical study of the structural, elastic, electronic and piezoelectric properties of zinc-blende AlN and GaN under the pressure effect. The study is focused on the first-principles all electron full-potential augmented plane wave plus local orbitals calculations within the density-functional theory. The results of bulk properties, including lattice constants, bulk modulus and derivatives and band structures are obtained and compared using both the local density approximation (LDA) and the generalized gradient approximation (GGA) for the exchange-correlation functional. We find that the GGA does not give a significant improvement over LDA. We also report calcula…
Local excitation of surface plasmon polaritons at discontinuities of a metal film: Theoretical analysis and optical near-field measurements
2002
Nonresonant excitation of surface plasmon polaritons at discontinuities of a gold film is numerically studied and experimentally observed with scanning near-field optical microscopy. It is shown that surface polaritons can be effectively launched at the edges of a metal film illuminated at an angle of incidence greater than the resonant angle of surface polariton excitation. The electromagnetic near-field distribution over a thin metal film exhibits significantly different features under resonant and nonresonant excitations due to different surface polariton excitation mechanisms. In the latter case the field distribution is determined by the interference of the excitation light and surface…
New quantum Monte Carlo formulation for modeling trans-polyacetylene properties: specific heat calculation
2004
Abstract In this paper we propose a new hybridization scheme for numerical simulation based on the determinantal quantum Monte Carlo and analytical model to treat the vibration mode of one-dimensional trans -polyacetylene chain. We use both of the extended Hubbard model (EHM) and Peierls–Hubbard model to compute the specific heat for different assumptions. For both the two models, our results indicate that the behavior of the specific heat is characterized by a maximum. We also introduce the effect of dimerization through Peierls–Hubbard model. In this case it is found that the specific heat magnitude is slightly more important when compared to specific heat value found with the EHM case. M…
Numerical study on localized defect modes in two-dimensional lattices: a high Q-resonant cavity
2003
Abstract The spectral widths and the quality factors of defect modes localized for different defects structures formed in a 2D photonic crystal composed of a square lattice of circular rods of indium antimonide (InSb) are theoretically investigated. It is first shown that some factors such as the lattice nature, the line defect orientation, the nature and the defect width have a significant influence on the optical properties of the studied structures and can improve the Q factor and defect peak transmission intensity. Particularly, the transmission spectra of the defects calculated by means the transfer-matrix-method for a particular structure of eight line defects introduced in its center…
The behavior of correlation functions in trans-polyacetylene: quantum Monte Carlo study
2002
We present results of a quantum Monte Carlo simulation of the one-dimensional half-filled Hubbard model to study different correlation functions in the trans-polyacetylene (t-PA) polymer. Magnetic structure of the model in t-PA is studied for a different range values of the Hubbard repulsion interactions, U and V ,w here U 4t , with V ∈[ U/2 ,U ] (t is the hopping matrix elements). In this work, we investigate the behavior of the magnetic correlation functions for different phases transitions between different ordering (antiferromagnetic and ferromagnetic) by varying the nearest-neighbor interactions U and V between different atomic sites. Our results indicate that there is a presence of a …
Prediction of structural and thermodynamic properties of zinc-blende AlN: molecular dynamics simulation
2004
Abstract Structural and elastic properties of AlN are investigated by using a molecular dynamics simulation based on the Tersoff empirical interatomic potential. Both of zinc-blende and rock-salt structures are discussed. The calculated bulk properties and elastic constants agree well with the available experimental and theoretical data. The Thermodynamic properties in zinc-blende structure are also predicted including the Debye temperature, melting temperature, heat capacity, linear thermal coefficient. This study is helpful to understand the bahviour of physical properties of AlN when the temperature varies.
Pressure Dependence of the Band Gaps and Charge Densities in Si
1994
The empirical local and nonlocal pseudopotentials of Si which can describe the electronic energy structure over a wide energy range of more than 20 eV from the bottom of the valence band is determined for different pressures. The nonlocality of the potential is described by the Gaussian model. The predictions for the linear and quadratic pressure coefficients are consistent with the experiment. The valence charge densities of Si under high pressure are studied. The forbidden X-ray factor F(222) is very stable under pressure and changes by less than 3% under volume changes of the order of 5%.
Quantum Monte-Carlo calculation of correlation functions of undistorted, cis-distorted and trans-distorted polyacene
2003
Abstract We have studied polyacene within the Hubbard model to explore the effect of electrons correlations on the bond–bond correlation as well as spin–spin correlation functions. We employ the determinantal quantum Monte-Carlo to resolve the microscopic Hamiltonian of this system which involves a nearest-neighbor electron hopping matrix element t , an on-site Coulomb repulsion U . The objective of this study is to understand the effect of electron–electron (e–e) correlations on the structural instability in polyacene. We find strong similarities between polyacene and polyacetylene. The system shows no tendency to destroy the imposed bond-alternation pattern. The spin–spin correlations sho…
Empirical molecular dynamics study of structural, elastic and thermodynamic properties of zinc-blende-like SiGe compound
2004
Abstract A three-body potential coupled with a molecular-dynamics method is used to calculate structural and thermodynamic properties of the hypothetical IV–IV compound SiGe in zinc-blende phase. A good agreement between the calculated and theoretical values of the lattice constant, the bulk modulus and its derivative, and the cohesive energy is obtained. We also compute the elastic constants, Debye temperature, lattice thermal expansion, and the specific heat. We investigate also, the structural properties of SiGe when rock-salt phase appears.
Pressure Dependence of Positron Annihilation in Si
1994
The pressure dependence of the electron-positron and the electron-electron momentum densities in silicon are studied. The observations that the electron-positron momentum density increases more rapidly with pressure than the electron-electron momentum density alone is explained in terms of increased positron penetration into the ion cores. The computational technique used here is based on the independent-particle model (IPM) coupled with the use of the electron pseudo-wave functions.
Cluster-model density functional study of a W–Cu(100) STM junction
1999
Abstract In this article, we investigate the electronic properties of different clusters modelling a tungsten tip, the Cu(1 0 0) surface and interacting W–Cu(1 0 0) systems in STM configuration. Electronic structure calculations are carried out within the LDA approximation of the Density Functional Theory (DFT). Both integrated (densities of states) and local properties (electronic density and electrostatic potential) are considered. The study is performed for top and hollow surface sites and two different tip–sample separations.
Photonic band gaps in highly ionic medium: CuCl, CuBr, CuI
2003
Abstract Using the transfer-matrix-method, we have studied the propagation of electromagnetic waves through two-dimensional (2D) and three-dimensional (3D) dispersive photonic band gap (PBG) structures constructed from copper halides materials, especially from CuCl compounds. A special attention has been paid to the effect of the polariton gap on the PBG properties. This study reveals that “Twin gaps” and “Twin brothers” concepts and the flattened bands phenomena in both polarizations and for both structures (i.e. 2D and 3D) are all consequences of the strong photon–phonon coupling, particularly near the long wave length transverse optical phonon frequency. Furthermore, results for comparis…
Quantum Monte Carlo study of the alternating extended Peierls–Hubbard model applied to the trans-polyacetylene
2001
Abstract The one-dimensional alternating Peierls–Hubbard model is especially interesting as nontrivial model for conjugated polymer chains, such as polyacetylene. We study this model for chains of 64 sites using the determinantal method based on Hubbard–Stratonovich transformation. We obtain the first electronic energies and their mean fluctuations at half-filling as a function of the on-site electron–electron interaction (both short and long range U, V coupling are considered). We also study the effect of the electron–electron interaction on the dimerization by investigating some of the important correlation functions, such as spin–spin correlation, on-site charge and the specific heat. Th…