Electronic structure, chemical bonding, and geometry of pure and Sr-doped CaCO3

The electronic structure, chemical bonding, geometry, and effects produced by Sr-doping in CaCO3 have been studied on the basis of density-functional theory using the VASP simulation package and molecular-orbital theory utilizing the CLUSTERD computer code. Two calcium carbonate structures which occ...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autor principal: Stashans, A. (author)
Otros Autores: Chamba, G. (author), Pinto, H. (author)
Formato: article
Publicado: 2007
Materias:
Acceso en línea:http://dspace.utpl.edu.ec/handle/123456789/19298
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!