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Phys. Rev. B 48, 17724–17731 (1993)

Generalized augmented-space theorem for correlated disorder and the cluster-coherent-potential approximation

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Abhijit Mookerjee and Rajendra Prasad
International Centre for Theoretical Physics, Trieste 34100, Italy

Received 31 August 1993; published in the issue dated 15 December 1993

We present a method for calculating the electronic structure of disordered alloys with short-range order (SRO) which guarantees a positive density of states for all values of the SRO parameter. The method is based on the generalized augmented-space theorem which is valid for alloys with SRO. This theorem is applied to alloys with SRO in the tight-binding linear-muffin-tin-orbital (TB-LMTO) framework. This is done by using the augmented-space formulation of Mookerjee and cluster-coherent-potential approximation. As an illustration, the method is applied to a single-band model TB-LMTO Hamiltonian. We find that the SRO can induce substantial changes in the density of states.

© 1993 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.48.17724
DOI:
10.1103/PhysRevB.48.17724
PACS:
71.10.+x, 71.20.-b