Cambios físico-químicos de un refractario MgO-C después de servicio en horno de arco eléctrico

Tesis (Maestría en Ciencias de la Ingeniería Mecánica, con especialidad en Materiales) - U.A.N.L, 1992

Obtención de circonia estabilizada con MgO (por) Ana María Arato Tovar

Tesis (Maestría en Ciencias de la Ingeniería Mecánica, con Especialidad en Matriales) U.A.N.L.

Modelo térmico de la fusión de MgO en un horno de arco eléctrico [por] Carlos Evaristo Esparza Garcés

Tesis (Maestría en Ciencias de la Ingeniería Mecánica con Especialidad en Materiales) U.A.N.L.

Investigación sobre el efecto de la Hercynita en la microestructura y propiedades de una combinación refractaria base MGO-CaZrO3

Tesis ( Maestro en Ciencias en Ingeniería de Materiales) U.A.N.L.

Nuevo desarrollo de materiales a base de MgO-Espinel (MgO.Al2O3) - carbón por Oscar Díaz Toledo

Tesis (Doctor en Ing. de Materiales) U.A.N.L.

Optimización del proceso de fusión de magnesia (MgO) por horno de arco eléctrico mediante la validación de un modelo matemático [por] Guadalupe Alan Castillo Rodríguez

Tesis (Doctorado en Ingeniería de Materiales) U.A.N.L.

Influencia del hierro en la estructura del espinel en el sistema MgO-Al2O3-Fe2O3 sinterizado en horno convencional y mediante microondas

Tesis (Doctor en Ciencias de la Ingeniería de Materiales) UANL, 2001.

Desarrollo de una tecnología refractaria basada en MgO-CaZrO? reforzado con hercinita para hornos rotatorios de cemento.

Tesis (Doctor en Ciencias de la Ingeniería Mecánica con Especialidad en Materiales) UANL, 2009.

The effect of dopants on the microwave dielectric properties of Ba( Mgo.33Ta0.67)03 ceramics

The effect of dopants with different valencies and ionic radii on the densification, structural ordering, and microwave dielectric properties of Ba(Mg1t3Tazt3)O3 (BMT) is investigated. It is found that dopants such as Sb,05, MnO, ZrO,, WO1, and ZnO improve the microwave dielectric properties of BMT. Addition of trivalent dopants is detrimental to the cation ordering and dielectric properties of BMT. A correlation between the microwave dielectric properties of BMT and ionic radii of the dopant has been established. The variation of the dielectric properties of pure and doped BMT at cryogenic temperatures is also discussed

Coverage effects on the magnetism of Fe/MgO(001) ultrathin films

Different aspects of the structure-magnetism and morphology-magnetism correlation in the ultrathin limit are studied in epitaxial Fe films grown on MgO(001). In the initial stages of growth the presence of substrate steps, intrinsically higher than an Fe atomic layer, prevent the connection between Fe islands and hence the formation of large volume magnetic regions. This is proposed as an explanation to the superparamagnetic nature of ultrathin Fe films grown on MgO in addition to the usually considered islanded, or Vollmer-Weber, growth. Using this model, we explain the observed transition from superparamagnetism to ferromagnetism for Fe coverages above 3 monolayers (ML). However, even though ferromagnetism and magnetocrystalline anisotropy are observed for 4 ML, complete coverage of the MgO substrate by the Fe ultrathin films only occurs around 6 ML as determined by polar Kerr spectra and simulations that consider different coverage situations. In annealed 3.5 ML Fe films, shape or configurational anisotropy dominates the intrinsic magnetocrystalline anisotropy, due to an annealing induced continuous to islanded morphological transition. A small interface anisotropy in thicker films is observed, probably due to dislocations observed at the Fe¿MgO(001) interface.

Adsorption energy and spin state of first-row transition metals adsorbed on MgO(100)

Slab and cluster model spin-polarized calculations have been carried out to study various properties of isolated first-row transition metal atoms adsorbed on the anionic sites of the regular MgO(100) surface. The calculated adsorption energies follow the trend of the metal cohesive energies, indicating that the changes in the metal-support and metal-metal interactions along the series are dominated by atomic properties. In all cases, except for Ni at the generalized gradient approximation level, the number of unpaired electron is maintained as in the isolated metal atom. The energy required to change the atomic state from high to low spin has been computed using the PW91 and B3LYP density-functional-theory-based methods. PW91 fails to predict the proper ground state of V and Ni, but the results for the isolated and adsorbed atom are consistent within the method. B3LYP properly predicts the ground state of all first-row transition atom the high- to low-spin transition considered is comparable to experiment. In all cases, the interaction with the surface results in a reduced high- to low-spin transition energy.

Ground- and excited-state properties of M-center oxygen vacancy aggregates in the bulk and the surface of MgO

Aggregates of oxygen vacancies (F centers) represent a particular form of point defects in ionic crystals. In this study we have considered the combination of two oxygen vacancies, the M center, in the bulk and on the surface of MgO by means of cluster model calculations. Both neutral and charged forms of the defect M and M+ have been taken into account. The ground state of the M center is characterized by the presence of two doubly occupied impurity levels in the gap of the material; in M+ centers the highest level is singly occupied. For the ground-state properties we used a gradient corrected density functional theory approach. The dipole-allowed singlet-to-singlet and doublet-to-doublet electronic transitions have been determined by means of explicitly correlated multireference second-order perturbation theory calculations. These have been compared with optical transitions determined with the time-dependent density functional theory formalism. The results show that bulk M and M+ centers give rise to intense absorptions at about 4.4 and 4.0 eV, respectively. Another less intense transition at 1.3 eV has also been found for the M+ center. On the surface the transitions occur at 1.6 eV (M+) and 2 eV (M). The results are compared with recently reported electron energy loss spectroscopy spectra on MgO thin films.

MgO/Ag(001) interface structure and STM images from first principles

The interface of MgO/Ag(001) has been studied with density functional theory applied to slabs. We have found that regular MgO films show a small adhesion to the silver substrate, the binding can be increased in off-stoichiometric regimes, either by the presence of O vacancies at the oxide film or by a small excess of O atoms at the interface between the ceramic to the metal. By means of theoretical methods, the scanning tunneling microscopy signatures of these films is also analyzed in some detail. For defect free deposits containing 1 or 2 ML and at low voltages, tunnelling takes place from the surface Ag substrate, and at large positive voltages Mg atoms are imaged. If defects, oxygen vacancies, are present on the surface of the oxide they introduce much easier channels for tunnelling resulting in big protrusions and controlling the shape of the image, the extra O stored at the interface can also be detected for very thin films.

Coherent tunnelling in Cu2+- and Ag2+-doped MgO and CaO: Cu2+ explored through ab initio calculations

The observation of coherent tunnelling in Cu2+ - and Ag2+ -doped MgO and CaO:Cu2+ was a crucial discovery in the realm of the Jahn-Teller (JT) effect. The main reasons favoring this dynamic behavior are now clarified through ab initio calculations on Cu2+ - and Ag2+ -doped cubic oxides. Small JT distortions and an unexpected low anharmonicity of the eg JT mode are behind energy barriers smaller than 25 cm-1 derived through CASPT2 calculations for Cu2+ - and Ag2+ -doped MgO and CaO:Cu2+ . The low anharmonicity is shown to come from a strong vibrational coupling of MO610- units (M=Cu,Ag) to the host lattice. The average distance between the d9 impurity and ligands is found to vary significantly on passing from MgO to SrO following to a good extent the lattice parameter.