Electronic origin of the anomalous stability of Fe-rich bcc Fe-Cr alloys

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 10, 2006, Pages

  Olsson, P ^a   Abrikosov, I A ^b   Wallenius, J ^c,d  

^a Departément Matériaux et Mécanique des Composants   (France)

^b LINKÖPING UNIVERSITY   (Sweden)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^d UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33644978487     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.104416     Document Type: Article

References (61)

1. A. Koyama, A. Hishinuma, D. S. Gelles, R. L. Klueh, W. Dietz, and K. Ehrlich, J. Nucl. Mater. JNUMAM 0022-3115 233-237, 138 (1996).
2. E. A. Little and D. A. Stow, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/0022-3115(79)90123-5 87, 25 (1979).
3. S. I. Porollo, A. M. Dvoriashin, A. N. Vorobyev, and Yu. V. Konobeev, J. Nucl. Mater. JNUMAM 0022-3115 256, 247 (1998).
4. F. Garner, M. B. Toloczko, and B. H. Sencer, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/S0022-3115(99)00225-1 276, 123 (2000).
5. R. Hultgren, P. D. Desai, D. T. Hawkins, M. Gleiser, and K. K. Kelley, Selected Values of the Thermodynamic Properties of Binary Alloys (American Society for Metals, Metals Park, Ohio, 1973).
6. I. Mirebeau, M. Hennion, and G. Parette, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.53.687 53, 687 (1984).
7. H. Kuwano and Y. Hamaguchi, J. Nucl. Mater. JNUMAM 0022-3115 155-157, 1071 (1988).
8. R. M. Fischer, E. J. Dulis, and K. G. Carroll, Trans. AIME TAIMAF 0096-4778 197, 690 (1953).
9. L. Reinhard, J. L. Robertson, S. C. Moss, G. E. Ice, P. Zschack, and C. J. Sparks, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.2662 45, 2662 (1992).
10. V. Heine and J. H. Sampson, J. Phys. F: Met. Phys. JPFMAT 0305-4608 10.1088/0305-4608/13/10/025 13, 2155 (1983) and references wherein.
11. F. Ducastelle, Order and Phase Stability in Alloys (North-Holland, Amsterdam, 1991).
12. P. E. A. Turchi, L. Reinhard, and G. M. Stocks, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.15542 50, 15542 (1994).
13. M. Hennion, J. Phys. F: Met. Phys. JPFMAT 0305-4608 10.1088/0305-4608/13/ 11/017 13, 2351 (1983).
14. E. G. Moroni and T. Jarlborg, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.3255 47, 3255 (1993).
15. P. Olsson, I. A. Abrikosov, L. Vitos, and J. Wallenius, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/S0022-3115(03)00207-1 321, 84 (2003).
16. H. Akai and P. H. Dederichs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.8739 47, 8739 (1993).
17. C. Jiang, C. Wolverton, J. Sofo, L.-Q. Chen, and Z.-K. Liu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.214202 69, 214202 (2004).
18. L. Vitos, I. A. Abrikosov, and B. Johansson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.156401 87, 156401 (2001).
19. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
20. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, R558 (1993).
21. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994).
22. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
23. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, 864 (1964).
24. J. P. Perdew, Electronic Structure of Solids (Akademie Verlag, Berlin, 1991);
25. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
26. O. K. Andersen, O. Jespen, and G. Krier, in Lectures on Methods of Electronic Structure Calculations, edited by, V. Kumar,,, O. K. Andersen,, and, A. Mookerjee, (World Scientific Publishing, Singapore, 1994), pp. 63-124.
27. O. K. Andersen, C. Arcangeli, R. W. Tank, T. Saha-Dasgupta, G. Krier, O. Jespen, and I. Dasgupta, MRS Symposia Proceedings, No. 491 (Materials Research Society, Pittsburgh, 1998), pp. 3-34.
28. O. K. Andersen and T. Saha-Dasgupta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.R16219 62, R16219 (2000).
29. L. Vitos, H. L. Skriver, B. Johansson, and J. Kollr, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(99)00098-1 18, 24 (2000).
30. L. Vitos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.014107 64, 014107 (2001).
31. B. L. Györffy, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.5.2382 5, 2382 (1972).
32. J. S. Faulkner, Prog. Mater. Sci. PRMSAQ 0079-6425 10.1016/0079-6425(82) 90005-6 27, 1 (1982).
33. I. A. Abrikosov and H. L. Skriver, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.16532 47, 16532 (1993).
34. I. A. Abrikosov and B. Johansson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.14164 57, 14164 (1998).
35. A. E. Kissavos, S. I. Simak, P. Olsson, L. Vitos, and I. A. Abrikosov, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2005.04.001 35, 1 (2006).
36. N. I. Kulikov and C. Demangeat, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.3533 55, 3533 (1997).
37. A. A. Mirzoev, M. M. Yalalov, and D. A. Mirzaev, Phys. Met. Metallogr. PHMMA6 0031-918X 97, 4336 (2004).
38. R. Hafner, D. Spisak, R. Lorenz, and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.184432 65, 184432 (2002).
39. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
40. C. Domain and C. S. Becquart, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.024103 65, 024103 (2002).
41. C. Domain, P. Olsson, and J. Wallenius (unpublished).
42. A. Zunger, S.-H. Wei, L. G. Ferreira, and J. E. Bernard, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.65.353 65, 353 (1990).
43. S. I. Simak (private communication).
44. P. A. Korzhavyi, B. Sundman, M. Selleby, and B. Johansson, Mater. Res. Soc. Symp. Proc. MRSPDH 0272-9172 842, S4.10.1 (2005).
45. E. Fawcett, H. L. Alberts, V. Yu. Galkin, D. R. Noakes, and J. V. Yakhmi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.66.25 66, 25 (1994).
46. P. G. Evans, E. D. Isaacs, G. Aeppli, Z. Cai, and B. Lai, Science SCIEAS 0036-8075 10.1126/science.1066870 295, 1042 (2002).
47. W. B. Pearson, A Handbook of Lattice Spacings and Structures of Metals and Alloys (Pergamon Press, London, 1958).
48. H. W. King, Science SCIEAS 0036-8075 1, 808 (1966).
49. I. A. Abrikosov, S. I. Simak, B. Johansson, A. V. Ruban, and H. L. Skriver, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.9319 56, 9319 (1997).
50. Z. W. Lu, S.-H. Wei, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.3387 44, 3387 (1991).
51. Z. W. Lu, S.-H. Wei, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.10314 45, 10314 (1992).
52. W. A. Dench, Trans. Faraday Soc. TFSOA4 0014-7672 10.1039/tf9635901279 59, 1279 (1962).
53. R. Hafner, D. Spisak, R. Lorenz, and J. Hafner, J. Phys.: Condens. Matter JCOMEL 0953-8984 202, 44 (2002).
54. S. Ghosh, B. Sanyal, C. B. Chaudhuri, and A. Mookerjee, Eur. Phys. J. B EPJBFY 1434-6028 23, 455 (2001).
55. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1958).
56. H. Jones, J. Phys. Radium JPRAAJ 0368-3842 23, 637 (1962).
57. T. B. Massalski and U. Mizutani, Prog. Mater. Sci. PRMSAQ 0079-6425 10.1016/0079-6425(78)90001-4 22, 151 (1978).
58. E. A. Smirnova, P. A. Korzhavyi, Yu. Kh. Vekilov, B. Johansson, and I. A. Abrikosov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.020101 64, 020101 (R) (2001).
59. E. A. Smirnova, P. A. Korzhavyi, Yu. Kh. Vekilov, B. Johansson, and I. A. Abrikosov, Eur. Phys. J. B EPJBFY 1434-6028 30, 57 (2002).
60. H. Jones, Proc. R. Soc. London, Ser. A PRLAAZ 0950-1207 144, 225 (1934).
61. J. Cieślak, S. M. Dubiel, and B. Sepiol, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/12/30/303 12, 6709 (2000).