First-principles study of structural stabilities and electronic characteristics of Mg-La intermetallic compounds

Computational Materials Science

Volumn 41, Issue 1, 2007, Pages 78-85

  Wang, Yu Fei ^a,b   Zhang, Wei Bing ^a,b   Wang, Zhi Zhong ^a,b   Deng, Yong He ^a,b   Yu, Na ^a,b   Tang, Bi Yu ^a,b   Zeng, Xiao Qin ^c   Ding, Wen Jing ^c  

^a XIANGTAN UNIVERSITY   (China)

^b Key Laboratory of Low Dimensional Materials and Application Technology   (China)

^c Shanghai Jiao Tong University   (China)

Author keywords

Alloying ability; Cohesive energy; Electronic structure; Formation heat; Mg La intermetallic compounds

Indexed keywords

BINARY ALLOYS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LATTICE CONSTANTS;

ALLOYING ABILITY; COHESIVE ENERGY; FORMATION HEAT; MG-LA INTERMETALLIC COMPOUNDS; STRUCTURE STABILITY;

INTERMETALLICS;

EID: 35348915915     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.03.003     Document Type: Article

References (21)

1. K.U. Kainer, F. Buch, in: Magnesium Alloys and Technologies, DGM [M], 2003, p. 1.
2. Potzies C., and Kainer K.U. Adv. Eng. Mater. 6 (2004) 281
3. Sajuri Z.B., Umehara T., Miyashita Y., and Mutoh Y. Adv. Eng. Mater. 5 (2003) 910
4. Makar G.L., and Kruger J. Int. Mater. Rev. 38 (1993) 138
5. Nie J.F. Scripta Mater. 48 (2003) 981
6. Gorsse S., Hutchinson C.R., Chevalier B., and Nie J.F. J. Alloy. Compd. 253 (2005) 392
7. Mordike B.L., and Ebert T. Mater. Sci. Eng. A 37 (2001) 302
8. Liu Z., Zhang K., and Zeng X.Q. The Theory Foundation of Magnesium-Based Lightweight Alloys and their Applications [M] (2002), Mechanical Industry Press, Beijing p. 52
9. Huang M.L., Li H.X., Chen H., Ding H., and Hao S.M. J. Mater. Metall. 4 (2005) 171
10. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
11. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
12. Blochl P.E. Phys. Rev. B 50 (1994) 17953
13. Kresse G., and Joubert D. Phys. Rev. B. 59 (1999) 1758
14. .
15. Sun D., Gingl F., Nakamura Y., Enolki H., Bououdina M., and Akiba E. J. Alloy. Compd. 103 (2002) 392
16. Zubov V.I., Tretiakov N.P., and Teixeira Rabelo J.N. Phys. Lett. A 194 (1994) 223
17. Sahu B.R. Mater. Sci. Eng. B 49 (1997) 74
18. Zhang B.W., Hu W.Y., and Shu X.L. Theory of Embedded Method and its Application to Materials Science - Atomic Scale Materials Design Theory [M] (2003), Hunan University Press p. 26
19. Song Y., Guo Z.X., and Yang R. Acta Mater. 49 (2001) 1647
20. Liu Y., and Wu F. The Chin. J. Nonf. Met. 14 (2004) 1881
21. Zhou D.W., Liu J.S., Yang F., Li G.F., Chen L., and Peng P. Special Casting and Nonferrous Alloys. 26 (2006) 117