Return to search

Beyond single-site disorder effects in first-principles studies of solid state systems

A generalization of the non-local coherent potential approximation (NL-CPA) for the treatment of short range ordering (SRO) effects in complex unit cell solids with different forms of disorder is proposed. The method is discussed with respect to fully first-principles Korringa, Kohn and Rostoker multiple scattering theory, and a tight-binding model hamiltonian. Examples from the context of applications to metallic alloys, diluted magnetic semiconductors, and half-metals in the presence of antisite disorder are discussed.

Identiferoai:union.ndltd.org:bl.uk/oai:ethos.bl.uk:560128
Date January 2011
CreatorsMarmodoro, A.
PublisherUniversity of Warwick
Source SetsEthos UK
Detected LanguageEnglish
TypeElectronic Thesis or Dissertation
Sourcehttp://wrap.warwick.ac.uk/46881/

Page generated in 0.0018 seconds