Statistical sampling approach to the electronic theory of multi-component alloys Article uri icon

abstract

  • A formal expansion in configuration space for the self-energy of electrons in disordered simply connected structures is derived. It is particularly well suited to develop accurate and rapidly convergent iterative methods to calculate local Green%27s functions of disordered multi-band tight-binding Hamiltonians. The scheme is used to model the electronic structure of multi-component alloys by a composite cluster effective-medium system. The averaged local density of states is calculated over a statistical ensemble generated by a random sampling of clusters. The statistical ensemble is characterized by a Markov matrix that measures the amount of shortrange order in the alloy. Numerical results for the averaged density of states of a hypothetical four-component alloy show mobility gaps and tails of localized states, typical of disordered solids. © 1990.
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publication date

  • 1990-01-01