Beyond single-site disorder effects in first-principles studies of solid state systems
Marmodoro, A. (2011) Beyond single-site disorder effects in first-principles studies of solid state systems. PhD thesis, University of Warwick.Full text not available from this repository.
Official URL: http://webcat.warwick.ac.uk/record=b2568831~S1
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|
|Institution:||University of Warwick|
|Theses Department:||Department of Physics|
|Supervisor(s)/Advisor:||Staunton, Julie B.|
|Extent:||ix, 111 leaves : ill., charts|
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