A general treatment for electronic states of disordered alloys, including composition-dependent off-diagonal Hamiltonian matrix elements is presented. The recursion method within the augmented space of a disordered lattice is exploited. The main novelty is the simple description of the states of this space by a binary logic to allow a manageable use of recurrence relations. Several examples of one-dimensional disordered alloys are considered, and comparison is performed between the electronic structure obtained with our procedure and numerical simulation of small clusters.
|Autori:||CORDELLI A; GROSSO G; PASTORI PARRAVICINI G|
|Titolo:||AUGMENTED SPACE FORMALISM FOR DIAGONAL AND OFF-DIAGONAL DISORDERED ALLOYS|
|Anno del prodotto:||1994|
|Digital Object Identifier (DOI):||10.1002/pssb.2221820213|
|Appare nelle tipologie:||1.1 Articolo in rivista|