Ab-initio study of the effect of rare-earth elements on the stacking faults of Mg solid solutions

Intermetallics

Volumn 29, Issue , 2012, Pages 21-26

  Zhang, Quan ^a   Fan, Tou Wen ^a   Fu, Lin ^a   Tang, Bi Yu ^a,b   Peng, Li Ming ^c   Ding, Wen Jiang ^c  

^a XIANGTAN UNIVERSITY   (China)

^b GUANGXI UNIVERSITY   (China)

^c Shanghai Jiao Tong University   (China)

Author keywords

A. Rare earth intermetallics; D. Defects: planar faults; E. Ab initio calculations; E. Electronic structure, calculation

Indexed keywords

ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; RARE EARTHS; SOLID SOLUTIONS;

DEFECTS: PLANAR FAULTS; DEFORMATION MECHANISM; E. AB-INITIO CALCULATIONS; E. ELECTRONIC STRUCTURES; EXTENDED DISLOCATIONS; GENERALIZED STACKING FAULT ENERGIES; RARE EARTH INTERMETALLICS; STACKING FAULT ENERGIES;

STACKING FAULTS;

EID: 84863985105     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2012.04.015     Document Type: Article

References (41)

1. N. Chetty, and M. Weinert Phys Rev B 56 1997 10844
2. A.E. Smith Surf Sci 601 2007 5762
3. A. Couret, and D. Caillard Acta Metall 33 1985 1455
4. R.L. Fleischer Scr Metal 20 1986 223
5. L. Wen, P. Chen, Z.F. Tong, B.Y. Tang, L.M. Peng, and W.J. Ding Eur Phys J B 72 2009 397
6. H.Y. Wang, N. Zhang, C. Wang, and Q.C. Jiang Scr Mater 65 2011 723
7. J. Han, X. Su, Z.H. Jin, and Y. Zhu Scr Mater 64 2010 693
8. S. Ganeshan, S.L. Shang, Y. Wang, and Z.-K. Liu Acta Mater 57 2009 3876
9. Joseph A. Yasi, Louis G. Hector Jr., and D.R. Trinkle Acta Mater 58 2010 5704
10. N. Birbilis, M.K. Cavanaugh, A.D. Sudholz, S.M. Zhu, M.A. Easton, and M.A. Gibson Corros Sci 53 2011 168
11. L. Gao, R.S. Chen, and E.H. Han J Alloys Compd 481 2009 379
12. S. Sandlöbesa, S. Zaefferer, I. Schestakow, S. Yi, and R. Gonzalez-Martinez Acta Mater 59 2011 429
13. K. Hantzsche, J. Bohlen, J. Wendt, K.U. Kainer, S.B. Yi, and D. Letzig Scr Mater 63 2010 725
14. T.L. Chia, M.A. Easton, S.M. Zhu, M.A. Gibson, N. Birbilis, and J.F. Nie Intermetallics 17 2009 481
15. G. Kresse, and J. Furthmüller Phys Rev B 6 1996 15
16. P.E. Blöchl Phys Rev B 50 1994 17953
17. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, and D.J. Singh Phys Rev B 46 1992 6671
18. D.J. Siegel Appl Phys Lett 87 2005 121901
19. Yue Qi, and R.K. Mishra Phys Rev B 75 2007 224105
20. H.J. Monkhorst, and J.D. Pack Phys Rev B 13 1976 5188
21. P.E. Blöchl, O. Jepsen, and O.K. Andersen Phys Rev B 49 1994 16223
22. M. Methfessel, and A.T. Paxton Phys Rev B 40 1989 3616
23. M. Muzyk, Z. Pakiela, and K.J. Kurzydlowski Scr Mater 64 2011 916
24. N.W. Ashcroft, and N.D. Mermin Solid state physics 1976 Holt, Rinehart and Winston New York
25. E. Wachowicz, and A. Kiejna J Phys Chem B 13 2001 10767
26. A. Becerra, and M. Pekguleryuz J Mater Res 23 2008 3379
27. G. Lu, N. Kioussis, V.V. Bulatov, and E. Kaxiras Phys Rev B 62 2000 3099
28. S. Kibey, J.B. Liu, M.J. Curtis, D.D. Johnson, and H. Sehitoglu Acta Mater 54 2006 2991
29. A. Datta, U. Ramamurty, S. Ranganathan, and U. Waghmare Comput Mater Sci 37 2006 69
30. J.R. Rice J Mech Phys Solids 40 1992 239
31. M. Suzuki, T. Kimura, J. Koike, and K. Maruyama Mater Sci Eng A 387 2004 706
32. L. Vitos, J.O. Nilsson, and B. Johansson Acta Mater 54 2006 3821
33. H.J. Gotsis, D.A. Papaconstantopoulos, and M.J. Mehl Phys Rev B 65 2002 134101
34. M.J. Mehl, D.A. Papaconstantopoulos, N. Kioussis, and M. Herbranson Phys Rev B 61 2000 4894
35. P. Lazar, and R. Podloucky Intermetallics 17 2009 675
36. S.J. Zhou, A.E. Carlsson, and R. Thomson Phys Rev Lett 72 1994 852
37. P. Lazar, and R. Podloucky Phys Rev B 73 2006 104114
38. W.Y. Yu, N. Wang, X.B. Xiao, B.Y. Tang, L.M. Peng, and W.J. Ding Solid State Sci 11 2009 1400
39. H. Van Swygenhoven, P.M. Derlet, and A.G. Froseth Nat Mater 3 2004 399
40. T.W. Fan, Q. Zhang, B.Y. Tang, L.M. Peng, and W.J. Ding Eur Phys J B 82 2011 143
41. G. Henkelman, A. Arnaldsson, and H. Jónsson Comput Mater Sci 36 2006 354