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Nonsite diagonal properties from the Korringa-Kohn-Rostocker nonlocal coherent-potential approximation
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UNSPECIFIED (2006) Nonsite diagonal properties from the Korringa-Kohn-Rostocker nonlocal coherent-potential approximation. PHYSICAL REVIEW B, 73 (20). -. doi:10.1103/PhysRevB.73.205109 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.73.205109
Abstract
We present a formalism for the Bloch spectral function within the framework of the recently devised Korringa-Kohn-Rostocker nonlocal coherent potential approximation (KKR-NLCPA). This is applicable to the study of the effects of short-range order (SRO) on the electronic structure of disordered systems. We show how a coarse-grained average of the spectral function over regions in reciprocal space results directly from the KKR-NLCPA. By considering fluctuations about the NLCPA effective medium we find an expression for the spectral function itself. The results of explicit calculations on the bcc Cu50Zn50 and the fcc Cu77Ni23 solid solutions are presented in order to examine the effects of SRO upon their electronic structure and to illustrate the validity of our formalism.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QC Physics | ||||
Journal or Publication Title: | PHYSICAL REVIEW B | ||||
Publisher: | AMERICAN PHYSICAL SOC | ||||
ISSN: | 1098-0121 | ||||
Official Date: | May 2006 | ||||
Dates: |
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Volume: | 73 | ||||
Number: | 20 | ||||
Number of Pages: | 12 | ||||
Page Range: | - | ||||
DOI: | 10.1103/PhysRevB.73.205109 | ||||
Publication Status: | Published |
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