First-principles study of structural, electronic and elastic properties of Nb4AlC3

Brazilian Journal of Physics

Volumn 40, Issue 1, 2010, Pages 52-57

  Bouhemadou, A ^a,b  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

Ab initio; Elastic properties; Electronic properties; MAX phases; Pressure effect; Structural properties

Indexed keywords

EID: 77955500309     PISSN: 01039733     EISSN: None     Source Type: Journal    
DOI: 10.1590/S0103-97332010000100009     Document Type: Article

References (40)

1. M.W. Barsoum, Prog. Solid State Chem. 28, 201 (2000) and references therein.
2. P. Finkel, M.W. Barsoum, and T. El-Raghy, J. Appl. Phys. 87, 1701 (2000).
3. M.W. Barsoum, and T. El-Raghy, J. Am. Ceram. Soc. 79, 1953 (1996).
4. M.W. Barsoum, D. Brodkin, and T. El-Raghy, Scripta Metall. Matter. 36, 535 (1997).
5. M.W. Barsoum, M. Ali, and T. El-Raghy, Metall. Mater. Trans. A 31, 1857 (2000).
6. M.W. Barsoum, and T. El-Raghy, Am. Scientists. 89, 336 (2001).
7. M.W. Barsoum, L. Farber, T. El-Raghy, and I. Levin, Metall. Mater. Trans. A 30, 1727 (1999).
8. M.W. Barsoum, and M. Radovic, Mechanical properties of the MAX phases, Encyclopedia of Materials: Science and Technology, Elsevier, Amsterdam, 2004.
9. M.W. Barsoum, Physical properties of the MAX phases, Encyclopedia of Materials: Science and Technology, Elsevier, Amsterdam, 2006.
10. J.H. Hettinger, S.E. Lofland, P. Finkel, T. Meehan, J. Palma, K. Harrel, S. Gupta, A. Ganguly, T. El-Raghy, and M.W. Barsoum, Phys. Rev. B 72, 115120 (2OO5).
11. B. Manoun, F.X. Zhang, S.K. Saxena, T. El-Raghy, and M.W. Barsoum, J. Phys. Chem. Solids 67, 2091 (2006).
12. M.K. Drulis, H. Drulis, A. E. Hackemer, A. Ganguly, T. El-Raghy, and M. W. Barsoum, J. Alloys Comp. 433, 59 (2007).
13. B. Manoun, S. K. Sexena, M. W. Barsoum, Appl. Phys. Lett 86, 101906 (2005).
14. B. Manoun, S. K. Sexena, T. El-Raghy, M.W. Barsoum, Appl. Phys. Lett 88, 201902 (2006).
15. M. Magnuson, M. Mattesini, O. Wilhelmsson, J. Emmerlich, J.-P. Palmquist, S. Li, R. Ahuja, L. Hultman, O. Erikson, U. Jansson, Phys. Rev. B 74, 205102 (2006).
16. C.F. Hu, F.g. Li, J. Zhang, J. Wang, J.Y. Wang, Y.C. Zhou, Scripta Mater. 57, 893 (2007).
17. C.J. Rawn, M.W. Barsoum, T. El-raghy, A. Procipio, C.M. Hoffman, C.R. Hubbard, Mat. Res. Bull. 35, 1786 (2000)
18. P. Hohenberg, and W. Kohn. Phys. Rev. 136, B864 (1964).
19. W. Kohn, and L.J. Sham, Phys. Rev. 140, A1133 (1965).
20. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne, J. Phys.: Condens. Matter 14, 2717 (2002).
21. D.M. Ceperly, and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
22. J.P. Perdew, and A. Zunger, Phys. Rev. B 23, 5048 (1981).
23. D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
24. H.J. Monkhorst, and J. D. Pack, Phys. Rev. B13, 5188 (1976).
25. F. Birch.J.J. Geophys. Res. 83, 1257 (1978).
26. C.D. Gelatt Jr., A.R.Williams, V.L. Moruzzi, Phys. Rev. B 27, 2005 (1983).
27. I. Salama, T. El-Raghy, and M.W. Barsoum, J. Alloys Compd. 347, 271 (2002).
28. L. Lpez-de-la-Torrea, B. Winklerb, J. Schreuerb, K. Knorrc, M. Avalos-Borjad, Solid State Comm. 134, 245 (2005).
29. N.W. Ashcroft, and N. D. Mermin, Solid State Physics, Saunders College (Philadelphia, 1976).
30. J. F. Nye, Physical Properties of Crystals, Clarendon (Oxford, 1957).
31. V. Milman, and M.C. Warren, J. Phys.: Condens. Matter 13, 241 (2001).
32. V. Milman, and M.C. Warren, J. Phys.: Condens. Matter 13, 5585 (2001).
33. V. Milman, B.Winkler, and M. I. J. Probert, J. Phys.: Condens. Matter 17, 2233 (2005).
34. M.J. Mehl, B.M. Barry, and D.A. Papaconstantopoulos, Intermetallic Compounds: Principle and Practice, Volume I: Principles, J.H. Westbrook and R.L. Fleischeir, eds., John Wiley and Sons (London, 1995), Ch. 9, p. 195-210.
35. A. Reuss, and Z. Angew, Math. Mech. 8, 55 (1929).
36. W. Voigt, Lehrbush der Kristallphysik, Taubner, (Leipzig, 1928).
37. R. Hill, Proc. Phys. Soc. London A 65, 349 (1952).
38. Z. Sun, D. Music, R. Ahuja, S. Li, and J.M. Schneider, Phys. Rev. B 70, 508 (2004).
39. O.L. Anderson, J. Phys. Chem. Solids 24, 909 (1963).
40. E. Schreiber, O.L. Anderson, and N. Soga, Elastic Constants and Their Measurements, McGraw-Hill, (New York, 1973).