Mostrando 6 resultados de: 6
Publisher
Computational Materials Science(1)
Journal of Electroceramics(1)
Journal of Physics Condensed Matter(1)
Materials Research Society Symposium - Proceedings(1)
Physical Review B - Condensed Matter and Materials Physics(1)
Ab initio study of γ-Al<inf>2</inf>O<inf>3</inf> surfaces
ArticleAbstract: Starting from the theoretical pbkp_rediction of the γ-Al 2O3 structure using density-functional theoPalabras claves:Autores:Elliott S.D., Henry P. Pinto, Nieminen R.M.Fuentes:googlescopusAb-initio study on the γ-Al<inf>2</inf>O<inf>3</inf> surfaces and interfaces
Conference ObjectAbstract: The controlled growth of alumina films by atomic layer deposition (ALD) is of great interest to thePalabras claves:Autores:Elliott S.D., Henry P. PintoFuentes:googlescopusFirst-principles study of oxygen and aluminum defects in β-Si <inf>3</inf>N<inf>4</inf>: Compensation and charge trapping
ArticleAbstract: Formation energies for oxygen and aluminum defects in hexagonal silicon nitride (β-Si3N4) were calcuPalabras claves:Al defects, Charge transitions, Charge traps, Oxygen defects, Silicon clusters, Silicon nitridesAutores:Añez R., Arreghini A., Beyer V., Breuil L., Czernohorsky M., David Santiago Coll, Degraeve R., Elliott S.D., Grillo M.E., Rodríguez J.A., Shariq A., Suhane A.Fuentes:scopusMechanism of the Verwey transition in magnetite: Jahn-Teller distortion and charge ordering patterns
ArticleAbstract: We have performed density functional calculations with on-site Coulomb repulsion corrections of systPalabras claves:Autores:Elliott S.D., Henry P. PintoFuentes:googlescopusModelling the deposition of high-k dielectric films by first principles
Conference ObjectAbstract: Considerable interest is focussed on high-k dielectrics as replacements for the gate oxide in futurePalabras claves:ab initio calculations, Alumina, Atomic Layer Deposition, High-k dielectrics, Oxide surfaceAutores:Elliott S.D., Henry P. PintoFuentes:googlescopusTheoretical study of structural and optical properties of F-centers in tetragonal BaTiO<inf>3</inf>
Conference ObjectAbstract: Using the density functional theory (DFT) within the local density approximation (LDA) and a methodPalabras claves:BaTiO 3, DFT, F-center, Ferroelectric, Hartree-Fock, Oxygen-vacancy, Structural and optical propertiesAutores:Elliott S.D., Henry P. Pinto, Stashans A.Fuentes:googlescopus