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 language | English |
|---|---|
| Pages (from-to) | 1383-1386 |
| Number of pages | 4 |
| Journal | Physical Review B |
| Volume | 37 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 1988 |
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ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Fully relativistic Korringa-Kohn-Rostoker coherent-potential-approximation embedded-cluster-method evaluation of short-range-order effects in substitutional alloys containing heavy elements. / Weinberger, P.; Dirl, R.; Boring, A. M.; Gonis, A.; Freeman, Arthur J.
In: Physical Review B, Vol. 37, No. 3, 1988, p. 1383-1386.Research output: Contribution to journal › Article
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TY - JOUR
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
M3 - Article
VL - 37
SP - 1383
EP - 1386
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 3
ER -