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Title: Beyond single-site disorder effects in first-principles studies of solid state systems
Author: Marmodoro, A.
ISNI:       0000 0004 2724 0514
Awarding Body: University of Warwick
Current Institution: University of Warwick
Date of Award: 2011
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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.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available
Keywords: QC Physics