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.
  • 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's 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.

publication date

  • 1990-01-01