Electronic structure, phase stability and elastic moduli of AB transition metal aluminides

Intermetallics

Volumn 7, Issue 10, 1999, Pages 1095-1106

  Nguyen Manh, D ^a   Pettifor, D G ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; COPPER COMPOUNDS; ELASTIC MODULI; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ELECTRONS; GROUND STATE; NUMERICAL METHODS; STABILITY; TEMPERATURE; TRANSITION METALS;

FULL POTENTIAL LINEAR MUFFIN TIN ORBITALS; LOCAL DENSITY FUNCTIONAL APPROXIMATION; PHASE STABILITY; TRANSITION METAL ALUMINIDES;

ALUMINUM COMPOUNDS;

EID: 0033362136     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0966-9795(99)00040-0     Document Type: Article

References (46)

1. Cahn RW. Intermetallics, 1998;6:563 and other papers in this volume. (Kyoto Workshop on High Temperature Intermetallic Compounds, 10-13 May, 1998, Kyoto, Japan).
2. Cahn RW. Intermetallics, 1998;6:563 and other papers in this volume. (Kyoto Workshop on High Temperature Intermetallic Compounds, 10-13 May, 1998, Kyoto, Japan).
3. Sauthoff G. In Westbrook JH and Fleischer RL, editors. Intermetallic compounds. New York: John Wiley and Sons Ltd, 1995. vol 1. p. 991.
4. Yoo M.H., Fu C.L. Metall. Mater. Trans. A29:1998;1.
5. Watson R.E., Weinert M. Phys. Rev. B58:1998;5981.
6. Mehl MJ, Klein BM, Papaconstatopoulos DA. In: Westbrook JH and Fleischer RL, editors. Intermetallic compounds. New York: John Wiley and Sons Ltd, 1995. vol 1 p. 195.
7. de Fontaine D. Solid State Physics. 47:1994;33.
8. Nguyen-Manh D, Bratkovsky AM, Pettifor DG. Phil Trans Royal Soc, 1995; A351:529 and; In: High-temperature structural materials. Chapman and Hall, Cahn RW et al, editors. London: 1996; p. 111.
9. Nguyen-Manh D, Bratkovsky AM, Pettifor DG. Phil Trans Royal Soc, 1995; A351:529 and; In: High-temperature structural materials. Chapman and Hall, Cahn RW et al, editors. London: 1996; p. 111.
10. Nguyen-Manh D, Pettifor DG, Shao G, Miodownik AP, Pasturel Phil Mag A 1996;A74:1385.
11. Colinet C., Pasturel A, Nguyen-Manh D, Pettifor D.G., Miodownik A.P. Phys. Rev. B56:1997;552.
12. Nguyen-Manh D, Pettifor DG. In: Kim YW et al, editors. Gamma titanium aluminides. Warrendable: TMS, 1999 (to be published).
13. Pettifor D.G. Phys. Rev. Lett. 63:1989;2480.
14. Pettifor DG, Aoki M, Gumbsch P, Horsfield A, Nguyen-Manh D, Vitek V. Mater Sci Engineer 1995; A 192/193:24; Girshick A et al. Phil Mag 1998; A77:981 and A77:999.
15. Pettifor DG, Aoki M, Gumbsch P, Horsfield A, Nguyen-Manh D, Vitek V. Mater Sci Engineer 1995; A 192/193:24; Girshick A et al. Phil Mag 1998; A77:981 and A77:999.
16. Nguyen-Manh D, Pettifor DG, Znam S, Vitek V. Tight-Binding Approach to Computational Materials Science, MRS Symposium Proceeding 1998;491:353.
17. Pettifor D.G., Podloucky R. J. Phys. C. 19:1986;315.
18. Pettifor D.G. Mater. Sci. Tec. 8:1992;345.
19. Pettifor D.G. Bonding and structure of molecules and solids. 1995;Clarendon Press, Oxford.
20. Pearson W.P. Handbook of lattice spacings and structure of metals. 1967;Pergamon Press, Oxford.
21. Jensen WB. In: de Boer FR, Pettifor DG, editors. The structure of binary compounds. Amsterdam: North-Holland, 1989. vol 2.
22. Ducastelle, F. In: de Boer FR, Pettifor DG, editors. Order and phase stability in alloys. Amsterdam: North-Holland, 1991. vol 3.
23. Asta M., de Fontaine D. J. Mater. Res. 8:1993;2554.
24. Structure Reports, 1964;29:12.
25. O'Keeffe M, Navrotsky A, editors. Structure and bonding in crystals. New York: Academic Press, 1981. vol 2. p. 272.
26. Schob O., Parthé P. Acta Cryst. 19:1965;214.
27. Methfessel M. Phys. Rev. B38:1988;1537.
28. Perdew J.P., Zunger A. Phys. Rev. B23:1981;5048.
29. Desai P.D. J. Phys. Chem. Ref. Data. 16:1987;109.
30. Rzyman K., Moser Z., Watson R.E., Weinert M. J. Phas. Equil. 19:1998;106.
31. Alatalo M., Weinert M., Watson R.E. Phys. Rev. 57:1998;2009.
32. Lin W., Xu J., Freeman A.J. J. Mater. Res. 7:1992;59.
33. Pettifor D.G. Commun. Phys. 1:1977;141.
34. Nguyen-Manh D.et al. Intermetallics. 3:1995;9.
35. Andersen O.K. Phys. Rev. B12:1975;3060.
36. Trambly de Lassardiere G., Nguyen-Manh D., Julien J.P., Magnaud L., Cyrot-Lackmann F., Mayou D. Phys. Rev. B51:1995;7920.
37. Paxton A.T., Methfessel M., Pettifor D.G. Proc. R. Soc. Lond. A453:1997;1493.
38. Chubb S.R., Papaconstatopoulos D.A., Klein B.M. Phys. Rev. B37:1988;12120.
39. Zhang B., Soffa W.A. Scr. Metall. Mater. 30:1994;683.
40. Fu C.L., Yoo M.H. Acta Metall. Mater. 40:1992;703.
41. Schultz P.A., Davenport J.W. J. Alloys Comp. 197:1993;229.
42. Paxton AT. In: Yoo, MH, Wutig M, editors. Twinning in avanced materials. Warrendale: TMS, 1994, p. 27.
43. Nguyen-Manh D., Mayou D., Pasturel A., Cyrot-Lackmann F. J. Phys. F. 15:1985;1991.
44. Takana K., Koiwa M. Intermetallics. 4:1996;S29.
45. He Y., Schwarz R.B., Migliori A., Whang S.H. J. Mater. Res. 10:1995;1187.
46. Wasilewski R.J. Trans. Metall. Society of AIME. 236:1966;455.