The DOI matches its Crossref record; 18 of the 18 references it cites were found in a registry or an index.
Total-energy and pressure calculations for random substitutional alloys
Abstract
We present the details and the derivation of density-functional-based expressions for the total energy and pressure for random substitutional alloys (RSA) using the Korringa-Kohn-Rostoker Green's-function approach in combination with the coherent-potential approximation (CPA) to treat the configurational averaging. This includes algebraic cancellation of various electronic core contributions to the total energy and pressure, as in ordered-solid muffin-tin-potential calculations. Thus, within the CPA, total-energy and pressure calculations for RSA have the same foundation and have been found to have the same accuracy as those obtained in similar calculations for ordered solids. Results of our calculations for the impurity formation energy, and for the bulk moduli, the lattice parameters, and the energy of mixing as a function of concentration in fcc ${\mathrm{Cu}}_{\mathit{c}}$${\mathrm{Zn}}_{1\mathrm{\ensuremath{-}}\mathit{c}}$ alloys show that this generalized density-functional theory will be useful in studying alloy phase stability.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Die Konstitution der Mischkristalle und die Raumf�llung der Atome
Vegard, L. (1921) · Zeitschrift f�r Physik · doi:10.1007/bf01349680 · Cited by 3,890
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
Gunnarsson, O., & Lundqvist, B. I. (1976) · Physical Review B · doi:10.1103/physrevb.13.4274 · Cited by 3,665
Explicit local exchange-correlation potentials
Hedin, L., & Lundqvist, B. I. (1971) · Journal of Physics C: Solid State Physics · doi:10.1088/0022-3719/4/14/022 · Cited by 3,337
Selected values of the thermodynamic properties of binary alloys
Hultgren, R., Desai, P. D., Hawkins, D. T., Gleiser, M., & Kelley, K. K. (1973) · CERN Document Server (European Organization for Nuclear Research) · Cited by 3,316
Thermal Properties of the Inhomogeneous Electron Gas
Mermin, N. D. (1965) · Physical Review · doi:10.1103/physrev.137.a1441 · Cited by 2,782
Calculated Electronic Properties of Metals
(1978) · Elsevier eBooks · doi:10.1016/c2013-0-03017-4 · Cited by 2,764
Single Crystal Elastic Constants and Calculated Aggregate Properties. A Handbook
Simmons, G., & Wang, H. F. (1971) · Medical Entomology and Zoology · Cited by 2,644
Levy, M., & Perdew, J. P. (1985) · Physical Review A · doi:10.1103/physreva.32.2010 · Cited by 985
Quantum-mechanical theory of stress and force
Nielsen, O. H., & Martin, R. M. (1985) · Physical Review B · doi:10.1103/physrevb.32.3780 · Cited by 797
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-citationStocks, G. M., Temmerman, W. M., & Gyorffy, B. L. (1978) · Physical Review Letters · doi:10.1103/physrevlett.41.339 · Cited by 408
Self-citationConcentration Waves and Fermi Surfaces in Random Metallic Alloys
Gyorffy, B. L., & Stocks, G. M. (1983) · Physical Review Letters · doi:10.1103/physrevlett.50.374 · Cited by 331
Self-citationZero-Point Energy of an Electron Lattice
Coldwell-Horsfall, R. A., & Maradudin, A. A. (1960) · Journal of Mathematical Physics · doi:10.1063/1.1703670 · Cited by 281
Johnson, D. D., Nicholson, D. M., Pinski, F. J., Gyorffy, B. L., & Stocks, G. M. (1986) · Physical Review Letters · doi:10.1103/physrevlett.56.2088 · Cited by 249
Self-citationGreen's-function methods for electronic-structure calculations
Williams, A. R., Feibelman, P. J., & Lang, N. D. (1982) · Physical review. B, Condensed matter · doi:10.1103/physrevb.26.5433 · Cited by 236
Microscopic Basis of Miedema's Empirical Theory of Transition-Metal Compound Formation
Williams, A. R., Gelatt, C. D., & Moruzzi, V. L. (1980) · Physical Review Letters · doi:10.1103/physrevlett.44.429 · Cited by 140
First-principles calculation of impurity-solution energies in Cu and Ni
Drittler, B., Weinert, M., Zeller, R., & Dederichs, P. H. (1989) · Physical review. B, Condensed matter · doi:10.1103/physrevb.39.930 · Cited by 114
Cited by
Electronic Structure: Basic Theory and Practical Methods
Martin, R. M. (2020) · Cambridge University Press eBooks · doi:10.1017/9781108555586 · Cited by 269
Calculated surface segregation in transition metal alloys
Ruban, A. V., & Skriver, H. L. (1999) · Computational Materials Science · doi:10.1016/s0927-0256(99)00003-8 · Cited by 255
Competition between ferromagnetism and antiferromagnetism in FePt
Brown, G., Kraczek, B., Janotti, A., Schulthess, T. C., Stocks, G. M., & Johnson, D. D. (2003) · Physical Review B · doi:10.1103/physrevb.68.052405 · Cited by 86
Self-citation
Metadata
- Authors
- Johnson, D. D., Nicholson, D. M., Pinski, F. J., Györffy, B. L., & Stocks, G. M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1990-05-15
- Volume
- 41
- Issue
- 14
- Pages
- 9701-9716
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2038541147
- Cited by
- 274
- References
- 18
- FWCI
- 33.81
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
