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Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker nonlocal coherent potential approximation
Tulip, P. R., Staunton, J. B., Lowitzer, Stephan, Koedderitzsch, Diemo und Ebert, Hubert (2008) Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker nonlocal coherent potential approximation. Physical Review B (PRB) 77, S. 165116.Veröffentlichungsdatum dieses Volltextes: 21 Feb 2011 08:00
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.19680
Zusammenfassung
We present an ab initio formalism for the calculation of transport properties in compositionally disordered systems within the framework of the Korringa-Kohn-Rostoker nonlocal coherent potential approximation. Our formalism is based on the single-particle Kubo-Greenwood linear response and provides a natural means of incorporating the effects of short-range order upon the transport properties. We ...
We present an ab initio formalism for the calculation of transport properties in compositionally disordered systems within the framework of the Korringa-Kohn-Rostoker nonlocal coherent potential approximation. Our formalism is based on the single-particle Kubo-Greenwood linear response and provides a natural means of incorporating the effects of short-range order upon the transport properties. We demonstrate the efficacy of the formalism by examining the effects of short-range order and clustering upon the transport properties of disordered AgPd and CuZn alloys.
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| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Physical Review B (PRB) | ||||
| Verlag: | American Physical Society | ||||
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| Band: | 77 | ||||
| Seitenbereich: | S. 165116 | ||||
| Datum | 11 April 2008 | ||||
| Institutionen | Nicht ausgewählt | ||||
| Identifikationsnummer |
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| Klassifikation |
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| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Nein | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-196807 | ||||
| Dokumenten-ID | 19680 |
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