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Beyond single-site disorder effects in first-principles studies of solid state systems
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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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Official URL: http://webcat.warwick.ac.uk/record=b2568831~S1
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 (PhD) | ||||
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Subjects: | Q Science > QC Physics | ||||
Library of Congress Subject Headings (LCSH): | Solid state physics | ||||
Official Date: | September 2011 | ||||
Dates: |
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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Publication Status: | Unpublished | ||||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 |
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