Papers by Luis Fernando Magaña
Density Fucntional theory study of the interaction of a carbon monoxide molecule with a titanium surface decorated graphite slab
Thermal Contact Resistance Using Electrical Analogy
Revista Mexicana de Fisica
Interionic potential and superconductivity for metallic hydrogen
The critical magnetic field in polycrystalline ferrites:a theoretical and experimental study
Journal of Applied Physics
Interionic potential from density functional formalism with application to metallic hydrogen
Canadian Journal of Physics
New effects in photorefractive thin films and MQW structures
Dependence of the vacancy formation energy on the electronic density parameter for noble metals and metallic hydrogen
Revista Mexicana de Fisica
Ve calculated the variation of the vacancy formation energy with the eleelron density parameter, ... more Ve calculated the variation of the vacancy formation energy with the eleelron density parameter, T", using density functional formalism within the approach given by Fumi. \Ve took fi\'e dcereasing values of T", which are 1, 2, 3, 4 and 5% less than the value of T" at atmospheric pressure for noble metals and less than the expeeled equilibrium vale for metallic hydrogen. For every ca.'5c,we found t1lat the vacancy formation energy increases when T" decrcases,
First Principles calculation of the lattice specific heat of magnesium and beryllium
Revista Mexicana de Fisica
Quasysteady-state space charge fields in photorefractive multiple quantum wells: edge effects
Physical Review B
Puntos, Rayas y caracoles Matemáticas rápidas y divertidas con ayuda de los mayas
La enseñanza de la Física en México
Diffraction efficiency calculation for non-uniform dynamic Bragg gratings in rare earth doped optical fibers for arbitrary contrast
Diffraction efficiency in photovoltaic media for simultaneous phase and absorption gratings under non linear regime and applied field
Adsorption of a cO molecule around an atom of Ti or C anchored on hBN sheet vacancies
Identificar Un Patrimonio Global. Recuperando Las Fascinantes,Rápidas y Divertidas Matemáticas De Los Mayas
Interaction of a water molecule with a titanium atom anchored in a half fullerene
MRS Proceedings, 2012
ABSTRACTDensity functional theory and molecular dynamics were used to study the generation of hyd... more ABSTRACTDensity functional theory and molecular dynamics were used to study the generation of hydrogen peroxide around a nickel atom anchored on a pyridine-like nitrogen-doped graphene (PNG) layer. First, we found that two hydrogen molecules are adsorbed around the nickel atom, with adsorption energy 0.95 eV/molecule. Then we studied the interaction of oxygen molecules with this system at atmospheric pressure and 300 K. It is found that two hydrogen peroxide molecules are formed. However, at 700 K, one hydrogen peroxide molecule, and one water molecule are desorbed. One oxygen atom stays bound to the nickel atom.
Calculation of the shape of the magnetic domain wall
Journal of Magnetism and Magnetic Materials, 1986
ABSTRACT The equilibrium shape of the bowing of the magnetic domain wall, for an applied magnetic... more ABSTRACT The equilibrium shape of the bowing of the magnetic domain wall, for an applied magnetic field and within the bulged domain wall Globus model, is obtained. We make the assumption of having a bowing corresponding to a volume of revolution and use calculus of variations to minimize the total energy with respect to the profile of the shape. It is found that the equilibrium shape corresponds to a spherical cap, in agreement with the assumption made for this shape in previous work.
Journal of Materials Science, 2020
We investigated the adsorption of each of four pollutant molecules, namely nitrogen monoxide, nit... more We investigated the adsorption of each of four pollutant molecules, namely nitrogen monoxide, nitrogen dioxide, ozone, and formaldehyde, on the surface of a [0001] titanium slab, when it has adsorbed a one-atom-thick carbon layer. The tile is made of four titanium layers. Density functional theory and molecular dynamics were utilized. Atmospheric pressure and 300 K were considered. We found chemisorption of the four molecules on the [0001] titanium surface. Then, we optimized the interaction of the metal surface and a one-atom-thick carbon layer. The carbon atoms end up bound to titanium atoms on the surface. Carbon atoms' quasilinear chains are formed. The adsorption energy per carbon atom is -2.054 eV. There is no migration of carbon atoms to the bulk. We found significant changes in the adsorption properties. The new system repels formaldehyde and nitrogen oxide molecules. In the ozone case, chemisorption of one oxygen atom on the surface is found, and the remaining oxygen molecule is repelled. In the nitrogen dioxide case, chemisorption of one oxygen atom on the surface is found too, and the leftover fraction is also repelled. These calculations were performed using GGA, and afterward, we utilized Vdw-DF2, which includes long-range correlation effects. The same results are obtained.
Influence of physical parameters on the photorefractive efficiency of semiconductor multiple quantum wells
Photorefractive Materials, Effects And Devices Prm'93
Recently, a theoretical model based on the Dember mechanism has been proposed [1] to describe the... more Recently, a theoretical model based on the Dember mechanism has been proposed [1] to describe the quasi-steady photorefractive gratings generated in multiple quantum well structures (MQW).
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Papers by Luis Fernando Magaña