A first-principles study on the structural stability of Al2Ca Al4Ca and Mg2Ca phases

Materials Letters

Volumn 62, Issue 2, 2008, Pages 206-210

  Zhou, D W ^a   Liu, J S ^a   Peng, P ^a   Chen, L ^a   Hu, Y J ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Electronic structure; Plane wave pseudopotential theory; Structural stability

Indexed keywords

ALLOYING; ALUMINUM COMPOUNDS; CHEMICAL STABILITY; ELECTRONIC STRUCTURE;

DENSITIES OF STATES (DOS); PLANE WAVE PSEUDOPOTENTIAL THEORY; STRUCTURAL STABILITY;

CALCIUM COMPOUNDS;

EID: 36248990755     PISSN: 0167577X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matlet.2007.04.110     Document Type: Article

References (24)

1. Mordike B.L., and Ebert T. Mater. Sci. Eng., A 302 (2001) 37
2. Luo A., and Pekguleryuz M.O. J. Mater. Sci. 29 (1994) 5259
3. Min X.G., Du W.W., Xue F., et al. Chin. Sci. Bull. 47 (2002) 109
4. Shaw C., and Jones H. Mater. Sci. Technol. 15 (1999) 78
5. Song H.N., Yuan G.Y., Wang Q.D., et al. Chinese Nonferr. Metals 12 (2002) 956
6. Nie J.F., and Muddle B.C. Scr. Mater. 37 (1997) 1475
7. Min X.G., Sun Y.S., Xue F., et al. Mater. Chem. Phys. 78 (2002) 88
8. Zhou D.W., Peng P., and Liu J.S. Mater. Sci. 25 (2007) 145
9. Payne M.C., Teter M.P., Allan D.C., et al. Rev. Mod. Phys. 64 (1992) 1045
10. Lindan P.L.D., Segall M.D., Probert M.J., et al. J. Phys., Condens. Matter 14 (2002) 2717
11. Marlo M., and Milman V. Phys. Rev., B 62 (2000) 2899
12. White J.A., and Bird D.M. Phys. Rev., B 50 (1994) 4954
13. Vanderbilt D. Phys. Rev., B 41 (1990) 7892
14. Perdew J.P., Chevary J., Vosko S., et al. Phys. Rev., B 46 (1992) 6671
15. Francis G.P., and Payne M.C. J. Phys., Condens. Matter 2 (1990) 4395
16. Hammer B., Hansen L.B., and Norkov J.K. Phys. Rev., B 59 (1999) 7413
17. Monkhorst H.J., and Pack J.D. Phys. Rev., B 13 (1976) 5188
18. Medvedeva M.I., Gornostyrev Y.N., Novikov D.L., et al. Acta Mater. 46 (1998) 3433
19. Sahu B.R. Mater. Sci. Eng., B 49 (1997) 74
20. Li C.H., Hoe J.L., and Wu P. Phys. Chem. Solids 64 (2003) 201
21. Song Y., Guo Z.X., Yang R., et al. Acta Mater. 49 (2001) 1647
22. Zubov V.I., Tretiakov N.P., Teixeira Rabelo J.N., et al. Phys. Lett., A 198 (1995) 223
23. Zhang X.D. Intermetallics 3 (1995) 137
24. Fu C.L., Wang X.D., Ye Y.Y., et al. Intermetallics 7 (1999) 179