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.
AUGMENTED SPACE FORMALISM FOR DIAGONAL AND OFF-DIAGONAL DISORDERED ALLOYS
GROSSO, GIUSEPPE;
1994-01-01
Abstract
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.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
