First-principles calculations of elastic properties of LaNi5 compound

Chinese Physics Letters

Volumn 25, Issue 8, 2008, Pages 2950-2953

  Chen, Dong ^a   Xu, Guo Liang ^b   Zhang, Xin Wei ^a   Zhao, Ying Lu ^c   Yu, Ben Hai ^a   Shi, De Heng ^a  

^a XINYANG NORMAL UNIVERSITY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

^c LUDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY ALLOYS; CALCULATIONS; EQUILIBRIUM CONSTANTS; LANTHANUM ALLOYS; LATTICE CONSTANTS; TEMPERATURE DISTRIBUTION;

CONSTANT TEMPERATURE; ELASTIC PROPERTIES; FIRST PRINCIPLE CALCULATIONS; FIRST PRINCIPLES; GENERALIZED GRADIENT APPROXIMATIONS; PLANE-WAVE PSEUDOPOTENTIAL METHOD; PRESSURE DEPENDENCE; PRESSURE DERIVATIVES; QUASI-HARMONIC DEBYE MODEL; TEMPERATURE DEPENDENCE;

ELASTIC MODULI;

EID: 49749090072     PISSN: 0256307X     EISSN: 17413540     Source Type: Journal    
DOI: 10.1088/0256-307X/25/8/059     Document Type: Article

References (25)

1. Kitagawa I, Terao K, Aoki M and Yamada H 1997 J. Phys.: Cond. Matter 9 231
2. Cuevas F, Joubert J M, Latroche M and Percheron-Guégan A 2001 Appl. Phys. A 72 225
3. Dehouche Z, Grimard N, Laurencelle F, Goyette J and Bose T K 2005 J. Alloys Compd. 399 224
4. Willers E, Wanner M and Groll M 1999 J. Alloys Compd. 293-295 915
5. Park J G, Jang K J, Lee P S and Lee J Y 2001 Int. J. Hydrogen Energy 26 701
6. Atteberry J E, Agosta D S, Nattrass C E, Leisure R G, Jacob I, Rowman R C Jr and Yeheskel O 2004 J. Alloys Compd. 376 139
7. Blanco M A, Francisco E and Luańa V 2004 Comput. Phys. Commun. 158 57
8. Segall M D, Lindan Philip J D, Probert M J, Pickard C J, Hasnip P J, Clark S J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717
9. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
10. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
11. Segall M D, Lindan P J D, Probert M J, Pickard C J, Has-nip P J, Clark S J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717
12. Murnaghan F D 1944 Proc. Natl. Acad. Sci. U.S.A. 30 244
13. Maradudin A A, Montroll E W, Weiss G H and Ipatova I P 1971 Theory of Lattice Dynamics in the Harmonic Approximation (New York: Academic)
14. Francisco E, Recio J M and Blanco M A 2001 Phys. Rev. B 63 094107
15. Flórez M, Recio J M, Francisco E, Blanco M A and Martín Pends A 2002 Phys. Rev. B 66 144112
16. Blanco M A, Pends A M, Francisco E, Recio J M and Franco R 1996 J. Mol. Struct.: Theochem. 368 245
17. Flórez M, Recio J M, Francisco E, Blanco M A and Pends A M 2002 Phys. Rev. B 66 144112
18. Francisco E, Recio J M, Blanco M A and Martín Pends A 1998 J. Phys. Chem. 102 1595
19. Francisco E and Sanjurjo M A 2001 Phys. Rev. B 63 094107
20. Yeheskel O, Nattrass C E, Leisure R G, Jacob I and Bowman R C Jr 2004 J. Appl. Phys. 95 1089
21. Tanaka K, Okazaki S, Ichitsubo T, Yamamoto T, Inui H, Yamaguchi M and Koiwa M 2000 Intermetallics 8 613
22. Zhang C Y, Gao T, Zhang Y G, Zhou J J and Tang L J 2007 J. Alloys Compd. 439 25
23. Hector L G Jr, Herbst J F and Capehart T W 2003 J. Alloys Compd. 353 74
24. Tatsumi K, Tanaka I, Tanaka K, Inui H, Yamaguchi M, Adachi H and Mizuno M 2003 J. Phys.: Condens. Matter 15 6549
25. Weaver J H, Franciosi A, Wallace W E and Smith H K 1980 J. Appl. Phys. 51 5847