Prediction study of structural and elastic properties under the pressure effect of M2 GaC (M=Ti,V,Nb,Ta)

Journal of Applied Physics

Volumn 102, Issue 4, 2007, Pages

  Bouhemadou, A ^a   Khenata, R ^b  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; LATTICE CONSTANTS; POISSON RATIO;

INTERNAL PARAMETERS; STATIC FINITE STRAIN;

PRESSURE EFFECTS;

EID: 34548391419     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2773634     Document Type: Article

References (51)

1. M. W. Barsoum, Prog. Solid State Chem. 0079-6786 10.1016/S0079-6786(00) 00006-6 28, 201 (2000), and references therein.
2. P. Finkel, M. W. Barsoum, and T. El-Raghy, J. Appl. Phys. 0021-8979 10.1063/1.372080 87, 1701 (2000).
3. M. W. Barsoum and T. El-Raghy, J. Am. Ceram. Soc. 0002-7820 10.1111/j.1151-2916.1996.tb08018.x 79, 1953 (1996).
4. M. W. Barsoum, D. Brodkin, and T. El-Raghy, Scr. Metall. Mater. 36, 535 (1997).
5. M. W. Barsoum, M. Ali, and T. El-Raghy, Metall. Mater. Trans. A 1073-5623 10.1007/s11661-006-0243-3 31A, 1857 (2000).
6. M. W. Barsoum and T. El-Raghy, Am. Sci. 89, 336 (2001).
7. M. W. Barsoum, L. Farber, T. El-Raghy, and I. Levin, Metall. Mater. Trans. A 1073-5623 10.1007/s11661-999-0172-z 30A, 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 0163-1829 10.1103/PhysRevB.72.115120 72, 115120 (2005).
11. B. Manoun, F. X. Zhang, S. K. Saxena, T. El-Raghy, and M. W. Barsoum, J. Phys. Chem. Solids 0022-3697 10.1016/j.jpcs.2006.05.051 67, 2091 (2006).
12. M. K. Drulis, H. Drulis, A. E. Hackemer, A. Ganguly, T. El-Raghy, and M. W. Barsoum, J. Alloys Compd. 433, 59 (2007)
13. Y. C. Zhou and X. H. Wang, Mater. Res. Innovations 5, 87 (2001).
14. X. H. Wang, and Y. C. Zhou, Z. Metallkd. 93, 66 (2002).
15. M. W. Barsoum, I. Salama, T. El-Raghy, J. Golczewski, W. D. Porter, H. Wang, H. J. Seifert, and F. Aldinger, Metall. Mater. Trans. A 1073-5623 10.1007/s11661-002-0262-7 33A, 2775 (2002).
16. I. Salama, T. El-Raghy, and M. W. Barsoum, J. Electrochem. Soc. C150, 152 (2003).
17. I. Salama, T. El-Raghy, and M. W. Barsoum, J. Alloys Compd. 0925-8388 10.1016/S0925-8388(02)00756-9 347, 271 (2002).
18. S. F. Matar, Y. Le Petitcorps, and J. Etourneau, J. Mater. Chem. 0959-9428 10.1039/a605113h 7, 99 (1997).
19. Y. C. Zhou and Z. M. Sun, Phys. Rev. B 0163-1829 10.1103/PhysRevB.61. 12570 61, 12570 (2000).
20. G. Hug and E. Fries, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.113104 65, 113104 (2000).
21. Z. Sun, R. Ahuja, S. Li, and J. M. Schneider, Appl. Phys. Lett. 0003-6951 10.1063/1.1599038 83, 899 (2003).
22. Z. Sun, D. Music, R. Ahuja, S. Li, and J. M. Schneider, Phys. Rev. B 70, 508 (2004). 0163-1829
23. Z. Sun, S. Li, R. Ahuja, and J. M. Schneide, Solid State Commun. 0038-1098 10.1016/j.ssc.2003.12.008 129, 589 (2004).
24. G. Hug, M. Jaouan, and M. W. Barsoum, Phys. Rev. B 0163-1829 10.1103/PhysRevB.71.024105 71, 024105 (2005).
25. B. Manoun, R. P. Gulve, S. K. Saxena, S. Gupta, M. W. Barsoum, and C. S. Zha, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.024110 73, 024110 (2006).
26. A. Yakoubi, L. Beldi, B. Bouhafs, M. Ferhat, and P. Ruterana, Solid State Commun. 139, 485 (2006). 0038-1098
27. J. Wang and Y. Zhou, Phys. Rev. B 0163-1829 10.1103/PhysRevB.69.214111 69, 214111 (2004).
28. A. Bouhemadou, R. Khenata, and M. Chegaar, Eur. Phys. J. B 1434-6028 10.1140/epjb/e2007-00115-6 56, 209 (2007).
29. M. I. Eremets, K. Shimizu, and K. Amaya, Science 0036-8075 10.1126/science.281.5381.1333 281, 1333 (1998).
30. P. Hohenberg and W. Kohn, Phys. Rev. 136, 86 (1964). 0031-899X
31. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).
32. 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 0953-8984 10.1088/0953-8984/14/11/301 14, 2717 (2002).
33. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
34. J. P. Perdew and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.23. 5048 23, 5048 (1981).
35. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 0163-1829 10.1103/PhysRevB.13.5188 13, 5188 (1976).
36. B. Manoun, S. K. Saxena, H. P. Liermann, R. P. Gulve, E. Hoffman, M. W. Barsoum, G. Hug, and C. S. Zha, Appl. Phys. Lett. 0003-6951 10.1063/1.1784516 85, 1514 (2004).
37. F. Birch, J. Geophys. Res. 0148-0227 10.1063/1.1141509 83, 1257 (1978).
38. P. T. Jochym, K. Parliński, and P. Krzywiec, Comput. Mater. Sci. 29, 414 (2004). 0927-0256
39. U. D. Wdowik, K. Parliński, and A. Siegel, J. Phys. Chem. Solids 67, 1477 (2006). 0022-3697
40. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976).
41. J. F. Nye, Physical Properties of Crystals (Clarendon, Oxford, 1957).
42. V. Milman and M. C. Warren, J. Phys.: Condens. Matter 13, 214 (2001). 0953-8984
43. V. Milman and M. C. Warren, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/13/24/304 13, 5585 (2001).
44. V. Milman, B. Winkler, and M. I. J. Probert, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/17/13/019 17, 2233 (2005).
45. M. J. Mehl, B. M. Barry, and D. A. Papaconstantopoulos, in Intermetallic Compounds: Principle and Practice, Volume I: Principles, edited by, J. H. Westbrook, and, R. L. Fleischeir, (Wiley, London, 1995), Chap., pp. 195-210.
46. A. Reuss, Z. Angew. Math. Mech. 8, 55 (1929).
47. W. Voigt, Lehrbush der Kristallphysik (Taubner, Leipzig, 1928).
48. R. Hill, Proc. Phys. Soc., London, Sect. A 0370-1298 10.1088/0370-1298/ 65/5/307 65, 349 (1952).
49. E. Schreiber, O. L. Anderson, and N. Soga, Elastic Constants and Their Measurements (McGraw-Hill, New York, 1973).
50. P. Wachter, M. Filzmoser, and J. Rebizant, Physica B (Amsterdam) 293, 199 (2001). 0921-4526
51. O. L. Anderson, J. Phys. Chem. Solids 0022-3697 10.1016/0022-3697(63) 90067-2 24, 909 (1963).