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Complete Solution of the Korringa-Kohn-Rostoker Coherent-Potential-Approximation Equations: Cu-Ni Alloys
Abstract
We report on calculations of the electronic states in disordered ${\mathrm{Cu}}_{c}{\mathrm{Ni}}_{(1\ensuremath{-}c)}$ alloys based on a complete solution of the coherent-potential approximation for a muffin-tin model of the alloy potential [Korringa-Kohn-Rostoker coherent-potential-approximation (KKR-CPA)]. The computational effort required is modest on the scale of that involved in bandstructure calculations for many atoms per unit cell. The calculated densities of states are in good agreement with the results of photoemission and other experiments. The adequacy of previous approximate KKR-CPA and averaged $t$-matrix calculations is discussed.
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Citations
Cites
Andersen, O. K. (1975) · Physical Review B · doi:10.1103/physrevb.12.3060 · Cited by 6,556
Coherent-Potential Model of Substitutional Disordered Alloys
Soven, P. (1967) · Physical Review · doi:10.1103/physrev.156.809 · Cited by 2,717
X-Ray Photoelectron Spectra of the Valence Bands of Some Transition Metals and Alloys
Hüfner, S., Wertheim, G. K., & Wernick, J. H. (1973) · Physical Review B · doi:10.1103/physrevb.8.4511 · Cited by 228
Cited by
Full-potential nonorthogonal local-orbital minimum-basis band-structure scheme
Koepernik, K., & Eschrig, H. (1999) · Physical Review B · doi:10.1103/physrevb.59.1743 · Cited by 2,099
Colloquium : Topological band theory
Bansil, A., Lin, H., & Das, T. (2016) · Reviews of Modern Physics · doi:10.1103/revmodphys.88.021004 · Cited by 1,587
Ebert, H., Ködderitzsch, D., & Minár, J. (2011) · Reports on Progress in Physics · doi:10.1088/0034-4885/74/9/096501 · Cited by 1,072
Calculating properties with the coherent-potential approximation
Faulkner, J. S., & Stocks, G. M. (1980) · Physical Review B · doi:10.1103/physrevb.21.3222 · Cited by 606
Self-citationTotal-energy and pressure calculations for random substitutional alloys
Johnson, D. D., Nicholson, D. M., Pinski, F. J., Györffy, B. L., & Stocks, G. M. (1990) · Physical Review B · doi:10.1103/physrevb.41.9701 · Cited by 274
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Metadata
- Authors
- Stocks, G. M., Temmerman, W. M., & Gyorffy, B. L.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1978-07-31
- Volume
- 41
- Issue
- 5
- Pages
- 339-343
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2016559190
- Cited by
- 408
- References
- 3
- FWCI
- 57.06
- Type
- journal article
- Language
- en
- Open access
- closed
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- The paper
- Stocks, G. M., Temmerman, W. M., & Gyorffy, B. L. (1978). Complete Solution of the Korringa-Kohn-Rostoker Coherent-Potential-Approximation Equations: Cu-Ni Alloys. Physical Review Letters. https://doi.org/10.1103/physrevlett.41.339
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