Fully relativistic Korringa-Kohn-Rostoker coherent-potential-approximation embedded-cluster-method evaluation of short-range-order effects in substitutional alloys containing heavy elements

P. Weinberger, R. Dirl, A. M. Boring, A. Gonis, Arthur J Freeman

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11 Citations (Scopus)

Abstract

We report calculations of densities of states associated with specific local atomic configurations in substitutionally disordered transition-metal noble-metal alloys, in particular Au-Pd alloys. These calculations are based on the fully relativistic version of the Korringa-Kohn-Rostoker coherent-potential approximation and on the recently developed corresponding embedded-cluster method, and allow a direct evaluation of short-range-order effects in substitutionally disordered materials. A discussion of our results and a comparison with results obtained for transition-metal alloys such as Pd-Ag is given.

Original languageEnglish
Pages (from-to)1383-1386
Number of pages4
JournalPhysical Review B
Volume37
Issue number3
DOIs
Publication statusPublished - 1988

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heavy elements
Transition metal alloys
evaluation
Precious metals
transition metals
approximation
Transition metals
noble metals
configurations

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

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abstract = "We report calculations of densities of states associated with specific local atomic configurations in substitutionally disordered transition-metal noble-metal alloys, in particular Au-Pd alloys. These calculations are based on the fully relativistic version of the Korringa-Kohn-Rostoker coherent-potential approximation and on the recently developed corresponding embedded-cluster method, and allow a direct evaluation of short-range-order effects in substitutionally disordered materials. A discussion of our results and a comparison with results obtained for transition-metal alloys such as Pd-Ag is given.",
author = "P. Weinberger and R. Dirl and Boring, {A. M.} and A. Gonis and Freeman, {Arthur J}",
year = "1988",
doi = "10.1103/PhysRevB.37.1383",
language = "English",
volume = "37",
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journal = "Physical Review B-Condensed Matter",
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T1 - Fully relativistic Korringa-Kohn-Rostoker coherent-potential-approximation embedded-cluster-method evaluation of short-range-order effects in substitutional alloys containing heavy elements

AU - Weinberger, P.

AU - Dirl, R.

AU - Boring, A. M.

AU - Gonis, A.

AU - Freeman, Arthur J

PY - 1988

Y1 - 1988

N2 - We report calculations of densities of states associated with specific local atomic configurations in substitutionally disordered transition-metal noble-metal alloys, in particular Au-Pd alloys. These calculations are based on the fully relativistic version of the Korringa-Kohn-Rostoker coherent-potential approximation and on the recently developed corresponding embedded-cluster method, and allow a direct evaluation of short-range-order effects in substitutionally disordered materials. A discussion of our results and a comparison with results obtained for transition-metal alloys such as Pd-Ag is given.

AB - We report calculations of densities of states associated with specific local atomic configurations in substitutionally disordered transition-metal noble-metal alloys, in particular Au-Pd alloys. These calculations are based on the fully relativistic version of the Korringa-Kohn-Rostoker coherent-potential approximation and on the recently developed corresponding embedded-cluster method, and allow a direct evaluation of short-range-order effects in substitutionally disordered materials. A discussion of our results and a comparison with results obtained for transition-metal alloys such as Pd-Ag is given.

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U2 - 10.1103/PhysRevB.37.1383

DO - 10.1103/PhysRevB.37.1383

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EP - 1386

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

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