On the Ground State of Pd.

First-principles electronic structure calculations within a gradient corrected density functional formalism have been carried out to investigate the electronic structure and magnetic properties of Pd clusters. It is shown that a bilayer ground-state structure that can be regarded as a relaxed bulk f...

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Publicado en:	Journal of the American Chemical Society Vol. 133; no. 31; pp. 12192 - 12197
Autores principales:	Köster, Andreas M., Calaminici, Patrizia, Orgaz, Emilio, Roy, Debesh R., Reveles, José Ulises, Khanna, Shiv N.
Formato:	Artículo
Publicado:	American Chemical Society 8/10/2011
Materias:	Palladium Electronic structure Magnetic properties Density functionals Molecular orbitals
Acceso en línea:	Ver este registro en EBSCOhost