Marmodoro, A. (2011) Beyond single-site disorder effects in first-principles studies of solid state systems. PhD thesis, University of Warwick.

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Abstract

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.

Item Type:	Thesis or Dissertation (PhD)
Subjects:	Q Science > QC Physics
Library of Congress Subject Headings (LCSH):	Solid state physics
Date:	September 2011
Institution:	University of Warwick
Theses Department:	Department of Physics
Thesis Type:	PhD
Publication Status:	Unpublished
Supervisor(s)/Advisor:	Staunton, Julie B.
Extent:	ix, 111 leaves : ill., charts
Language:	eng
URI:	http://wrap.warwick.ac.uk/id/eprint/46881

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