Influence of complex point defects in ordered alloys: An ab initio study of B2 Fe-Al-B

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 9, 2006, Pages

  Besson, Rémy ^a   Legris, Alexandre ^a   Morillo, Joseph ^b  

^a UNIV LILLE   (France)

^b CEMES CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748765524     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.094103     Document Type: Article

References (46)

1. F. Lechermann and M. Fahnle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.012104 63, 012104 (2000).
2. A. Van der Ven and G. Ceder, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.054102 71, 054102 (2005).
3. P. A. Korzhavyi, L. V. Pourovskii, H. W. Hugosson, A. V. Ruban, and B. Johansson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.015505 88, 015505 (2001).
4. G. L. W. Hart and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.275508 87, 275508 (2001).
5. B. Meyer and M. Fahnle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.6072 59, 6072 (1999).
6. C. L. Fu and J. Zou, Acta Mater. ACMAFD 1359-6454 44, 1471 (1996).
7. R. Besson, A. Legris, and J. Morillo, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.225502 89, 225502 (2002).
8. J. Bogner, W. Steiner, M. Reissner, P. Mohn, P. Blaha, K. Schwarz, R. Krachler, H. Isper, and B. Sepiol, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.14922 58, 14922 (1998).
9. M. Neumayer and M. Fahnle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.132102 64, 132102 (2001).
10. C. Woodward, S. Kajihara, and L. H. Yang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.13459 57, 13459 (1998).
11. R. Krachler and H. Ipser, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.054113 70, 054113 (2004).
12. Intermetallic Compounds: Principles and Practice, edited by, J. H. Westbrook, and, R. L. Fleischer, (Wiley, New York, 1994).
13. J. Mayer, C. Elsässer, and M. Fähnle, Phys. Status Solidi B PSSBBD 0370-1972 191, 283 (1995).
14. P. Mohn, C. Persson, P. Blaha, K. Schwarz, P. Novak, and H. Eschrig, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.196401 87, 196401 (2001).
15. F. Lechermann, F. Welsch, C. Elsässer, C. Ederer, M. Fahnle, J. M. Sanchez, and B. Meyer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.132104 65, 132104 (2002).
16. F. Lechermann, M. Fähnle, B. Meyer, and C. Elsässer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.165116 69, 165116 (2004).
17. N. I. Kulikov, A. V. Postnikov, G. Borstel, and J. Braun, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.6824 59, 6824 (1999).
18. B. V. Reddy, S. C. Deevi, F. A. Reuse, and S. N. Khanna, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.132408 64, 132408 (2001).
19. D. Paris and P. Lesbats, J. Nucl. Mater. JNUMAM 0022-3115 69-70, 628 (1978).
20. J. P. Neumann, Acta Metall. AMETAR 0001-6160 10.1016/0001-6160(80)90099-1 28, 1165 (1979).
21. E. Cadel, D. Lemarchand, A.-S. Gay, A. Fraczkiewicz, and D. Blavette, Scr. Mater. SCMAF7 1359-6462 41, 421 (1999).
22. A. Fraczkiewicz, A.-S. Gay, and M. Biscondi, Mater. Sci. Eng., A MSAPE3 0921-5093 10.1016/S0921-5093(98)00923-X 258, 108 (1998).
23. C. L. Fu and G. S. Painter, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(96)00208-X 45, 481 (1997).
24. Atomic Transport in Solids, edited by, A. R. Allnatt, and, A. B. Lidiard, (Cambridge University Press, Cambridge, 1993).
25. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993).
26. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994).
27. G. Kresse and J. Furthmuller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
28. G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
29. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
30. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1991).
31. C. L. Fu, Y. Y. Ye, M. H. Yoo, and K. M. Ho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.6712 48, 6712 (1993).
32. G. Bester, B. Meyer, and M. Fahnle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.14492 60, 14492 (1999).
33. Magnetism and the Chemical Bond, edited by, J. B. Goodenough, (Wiley, New York, 1963).
34. S. Dennler, J. Hafner, M. Marsman, and J. Morillo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.094433 71, 094433 (2005).
35. R. Besson, Ph. D. thesis, Ecole des Mines de Saint-Etienne, Saint-Etienne, France, 1997.
36. B. Meyer, Ph. D. thesis, University of Stuttgart, Stuttgart, Germany, 1998.
37. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
38. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (1997).
39. K. Carling, G. Wahnstrom, T. R. Mattsson, A. E. Mattsson, N. Sandberg, and G. Grimvall, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.3862 85, 3862 (2000).
40. T. R. Mattsson and A. E. Mattsson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.214110 66, 214110 (2002).
41. A. E. Mattsson and W. Kohn, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1396649 115, 3441 (2001).
42. R. Wurschum, C. Grupp, and H.-E. Schaefer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.97 75, 97 (1995).
43. H.-E. Schaefer, K. Frenner, and R. Wurschum, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.948 82, 948 (1999).
44. A. Y. Lozovoi and Y. Mishin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.184113 68, 184113 (2003).
45. M. Arita, M. Koiwa, and S. Ishioka, Acta Metall. AMETAR 0001-6160 10.1016/0001-6160(89)90167-3 37, 1363 (1989).
46. R. Drautz and M. Fahnle, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(99)00106-8 47, 2437 (1999).