Are there stable long-range ordered Fe1-x Crx compounds?

Applied Physics Letters

Volumn 92, Issue 14, 2008, Pages

  Erhart, Paul ^a   Sadigh, Babak ^a   Caro, Alfredo ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; CONCENTRATION (PROCESS); GROUND STATE; INTERMETALLICS;

EMBEDDING ENERGY; INTERMETALLIC PHASES;

IRON ALLOYS;

EID: 42149101559     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2907337     Document Type: Article

References (18)

1. M. Hennion, J. Phys. F: Met. Phys. 13, 2351 (1983).
2. A. A. Mirzoev, M. M. Yalalov, and D. A. Mirzaev, Phys. Met. Metallogr. 97, 336 (2004).
3. P. Olsson, I. A. Abrikosov, and J. Wallenius, Phys. Rev. B 73, 104416 (2006).
4. T. P. C. Klaver, R. Drautz, and M. W. Finnis, Phys. Rev. B 74, 094435 (2006).
5. V. V. Ovchinnikov, N. V. Zvigintsev, V. S. Litvinov, and V. A. Osminkin, Fiz. Met. Metalloved. 42, 310 (1976).
6. I. Mirebeau, M. Hennion, and G. Parette, Phys. Rev. Lett. 53, 687 (1984).
7. V. V. Ovchinnikov, B. Y. Goloborodsky, N. V. Gushchina, V. A. Semionkin, and E. Wieser, Appl. Phys. A: Mater. Sci. Process. 83, 83 (2006).
8. M. Y. Lavrentiev, R. Drautz, D. Nguyen-Manh, T. P. C. Klaver, and S. L. Dudarev, Phys. Rev. B 75, 014208 (2007).
9. P. Erhart, A. Caro, M. S. de Caro, and B. Sadigh, " Short-range order and precipitation in Fe-rich Fe-Cr alloys.," Phys. Rev. B (in press).
10. D. Nguyen-Manh, M. Y. Lavrentiev, and S. L. Dudarev, C. R. Phys. (unpublished).
11. D. Nguyen-Manh, M. Y. Lavrentiev, and S. L. Dudarev, Scientific Modeling and Simulation 14, 159 (2007).
12. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
13. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
14. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
15. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
16. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).
17. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
18. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (E) (1997).