Ab initio study of the structural and elastic properties of spinels MgX 2O 4(X = Al, Ga, In) under pressure

European Physical Journal B

Volumn 56, Issue 1, 2007, Pages 1-5

  Bouhemadou, A ^a   Khenata, R ^b   Zerarga, F ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

[No Author keywords available]

Indexed keywords

ELASTIC PROPERTIES; GENERALIZED GRADIENT APPROXIMATION; PRESSURE DEPENDENCE; SPINELS;

APPROXIMATION THEORY; ELASTICITY; LOCAL DENSITY APPROXIMATION; PRESSURE CONTROL;

MAGNESIUM COMPOUNDS;

EID: 34047227578     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2007-00003-1     Document Type: Article

References (42)

1. S.H. Wei, S.B. Zhang, Phys. Rev. B 63, 045112 (2001)
2. Shang-D. Mo, W.Y. Ching, Phys. Rev. B 54, 16555 (1996)
3. R. Khenata, M. Sahnoun, H. Baltache, M. Rérat, A.H. Reshak, Y. Al-Douri, B. Bouhafs, Phys. Lett. A 344, 271 (2005)
4. Yong-Nian Xu, W.Y. Ching, Phys. Rev. B 43, 4461 (1991)
5. A. Wanner, Materials Science and Engineering A 248, 35 (1998)
6. A. Martin Pandàs, Aurora Costales, M.A. Blanco, J.M. Recio, V. Luaña, Phys. Rev. B 62, 13970 (2000)
7. C. Aksel, B. Rand, F.L. Riley, P.D. Warren, J. Eur. Ceram. Soc. 22, 745 (2002)
8. A. Yoneda, J. Phys. Earth 38, 19 (1990)
9. A. Chopelas, Phys. Chem. Minerals 23, 25 (1996)
10. P. Thibaudeau, F. Gervais, J. Phys.: Condens. Matter 14, 3543 (2002)
11. A. Ibarra, R. Vila, F.A. Garner, J. Nuclear Materials 233, 1336 (1996)
12. I.V.A. Charkin, D.W. Cooke, V.T. Gritsyna, M. Ishimaru, K.E. Sickafus, Vacuum 58, 2 (2000)
13. T. Suzuki, G.S. Murugan, Y. Ohishi, J. Luminescence 113, 265 (2005)
14. R. Khenata, H. Baltache, M. Sahnoun, A. Bouhemadou, B. Bouhafs, M. Rérat, Algerian J. Adv. Materials 3, 171 (2006)
15. J.M. Leger, J. Haines, M. Schmidt, J.P. Petitet, A.S. Pereira, J.A.H. daJordana, Nature 383, 401 (1996)
16. W. Jones, L.J. Miles, Proc. Br. Ceram. Soc. 19, 161 (1971)
17. A. Govindaraj, E. Flahaut, C. Laurent, A. Peigney, A. Rousset, C.N.R. Rao, J. Mater. Res. 14, 2567 (1999)
18. G. Gusmano, G. Montesperelli, E. Traversa, G. Mattogno, J. Am. Ceram. Soc. 76, 743 (1993)
19. N.J. van der Laag, Environnemental effects on the fracture of oxide ceramics, Doctorat thesis, Technical University-Eindhoven (2002)
20. T. Irifune, K. Fujino, E. Ohtani, Nature 349, 409 (1991)
21. W. Kohn, L.J. Sham, Phys. Rev. A 140, 1133 (1965)
22. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, M.C. Payne, J. Phys.: Condens. Matter 14, 2717 (2002)
23. D.M. Ceperly, B.J. Alder, Phys. Rev. Lett. 45, 566 (1980)
24. J.P. Perdew, A. Zunger, Phys. Rev. B 23, 5048 (1981)
25. J.P. Perdew, S. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
26. H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)
27. R.J. Hill, J.R. Graig, G.V. Gibbs, Phys. Chem. Miner. 4, 317 (1979)
28. L.W. Finger, R.M. Hazen, A.M. Hofmeister, Phys. Chem. Miner. 13, 215 (1986)
29. R. Pandey, J.D. Gale, S.K. Sampath, J.M. Recio, J. Am. Ceram. Soc. 82, 3337 (1999)
30. J.M. Recio, R. Franco, A.M. Pandàs, M.A. Blanco, L. Pueyo, Phys. Rev. B 63, 184101 (2001)
31. P. D'arco, B. Silvi, C. Roetti, R. Orlando, J. Geophys. Res. 96, 6107 (1991)
32. P. Fischer, Z. Kristallogr. 124, 275 (1967)
33. M.B. Kruger, J.H. Nguyen, W. Caldwell, R. Jeanloz, Phys. Rev. B 56, 1 (1997)
34. D. Semione, C. Dodane-Thiriet, D. Gosset, P. Daniel, M. Beauvy, J. Nuclear Materials 300, 151 (2002)
35. M. Catti, G. Valerio, R. Dovise, M. Causà, Phys. Rev. B 49, 14179 (1994)
36. F.D. Murnaghan, Proc. Natl. Acad. Sci. 30, 244 (1944)
37. V. Milman, M.C. Warren, J. Phys.: Condens. Matter 13, 214 (2001)
38. V. Milman, M.C. Warren, J. Phys.: Condens. Matter 13, 5585 (2001)
39. V. Milman, B. Winkler, M.I.J. Probert, J. Phys.: Condens. Matter 17, 2233 (2005)
40. G.V. Lewis, R.A.C. Catlow, J. Phys. C: Solid State Phys. 18, 1149 (1985)
41. U.D. Wdowik, K. Parliñski, A. Siegel, J. Phys. Chem. Solids 67, 1477 (2006)
42. H.J. Reichman, S.D. Jacobsen, American Mineralogist 89, 1061 (2004)