First principles study on substitution behaviour of Si in TiAl3

Wuli Xuebao/Acta Physica Sinica

Volumn 58, Issue SPEC. ISS., 2009, Pages

  Zhu, Guo Liang ^a   Shu, Da ^a   Dai, Yong Bing ^a   Wang, Jun ^a   Sun, Bao De ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Density functional theory; Electronic structure; First principles; TiAl3

Indexed keywords

EID: 68349086982     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (19)

1. Mondolfo L F 1976 Aluminum Alloys: Structure and Properties (London: Butterworth) p471
2. Raman A, Schubert K 1965 Z. Metallkd 56 44
3. Hoffmeyer M K, Perepezko J H 1991 Light Metal 1105
4. Shu D, Zhu G L, Wang J, Sun B D 2007 Chinese Patent CN101086042 (in Chinese)
5. Srinivasan S, Desch P B, Schwartz R B 1991 Scripta Mater. 25 2513
6. Keiji W, Masatoshi S, Hideaki T 1999 J. Electroanal Chem. 473 250
7. Liu N N, Song R B, Sun H Y, Du D W 2008 Acta Phys. Sin. 57 7145 (in Chinese)
8. Zhao Z Y, Liu Q J, Zhu Z Q, Zhang J 2008 Acta Phys. Sin. 57 3760 (in Chinese)
9. Segall M D, Lindan P J D, Probert M J 2002 J. Phys.: Condens. Matter 14 2717
10. Vanderbilt D 1990 Phys. Rev. B 41 7892
11. Van Loo F J J, Rieck G D 1973 Acta Metall. 21 61
12. Schuter J, Nowotny H, Vaccaro C 1980 J. Solid State Chem. 32 213
13. Frazier W E, Benci J E 1991 Scripta Mater. 25 2267
14. Watson R E, Weinert M 1998 Phys. Rev. B 58 5981
15. Ershbaumer H, Podloucky R, Rogl P, Temnitschka G, Wagner R 1993 Intermetallics 1 99
16. Wolf W, Podloucky P, Erschbaumer H 1996 Intermetallics 4 201
17. Zou J, Fu C L, Yoo M H 1995 Phil. Mag. 71 45
18. Wang J Y, Zhou Y C, Liao T, Zhang J, Lin Z J 2008 Scripta Mater. 58 227
19. Xu J H, Oguchi T 1987 Phys. Rev. B 36 4186