Electron localization morphology of the stacking faults in Mg: A first-principles study

Chemical Physics Letters

Volumn 551, Issue , 2012, Pages 121-125

  Wang, W Y ^a,d   Shang, S L ^a   Wang, Y ^a   Darling, K A ^b   Mathaudhu, S N ^c   Hui, X D ^d   Liu, Z K ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

^c U S ARMY RESEARCH OFFICE   (United States)

^d UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON LOCALIZATION FUNCTION; ELECTRON LOCALIZATIONS; FIRST-PRINCIPLES STUDY; ORDER OF GROWTH; PHYSICAL INTERPRETATION; QUANTITATIVE DESCRIPTION; STACKING FAULT ENERGIES;

CHARGE TRANSFER; DEFORMATION; MORPHOLOGY;

ELECTRONS;

EID: 84867872793     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.09.028     Document Type: Article

References (41)

1. A.S. Argon, and W.C. Moffatt Acta Metall. Mater. 29 1981 293
2. N. Chetty, and M. Weinert Phys. Rev. B 56 1997 10844
3. Y.H. Zhao, Y.T. Zhu, X.Z. Liao, Z. Horita, and T.G. Langdon Appl. Phys. Lett. 89 2006 121906
4. K. Lu, L. Lu, and S. Suresh Science 324 2009 349
5. Y. Li, and Q.P. Kong Phys. Status Solidi. A-Appl. Res. 113 1989 345
6. Y. Wang, L.Q. Chen, Z.K. Liu, and S.N. Mathaudhu Scripta Mater. 62 2010 646
7. Y. Dai, J.H. Li, and B.X. Liu J. Phys.: Condes. Matter 21 2009 385402
8. W.Y. Hu, B.W. Zhang, B.Y. Huang, F. Gao, and D.J. Bacon J. Phys.: Condes. Matter 13 2001 1193
9. A.E. Smith Surf. Sci. 601 2007 5762
10. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 1133
11. P.N.H. Nakashima, A.E. Smith, J. Etheridge, and B.C. Muddle Science 331 2011 1583
12. D.R. Trinkle, and C. Woodward Science 310 2005 1665
13. P.A. Midgley Science 331 2011 1528
14. N. Kioussis, M. Herbranson, E. Collins, and M.E. Eberhart Phys. Rev. Lett. 88 2002 125501
15. A. Savin, R. Nesper, S. Wengert, and T.F. Fassler Angew. Chem. Int. Ed. Engl. 3 6 1997 1809
16. J. Contreras-Garcia, and J.M. Recio Theor. Chem. Acc. 128 2011 411
17. T. Morishita, M.J.S. Spencer, S.P. Russo, I.K. Snook, and M. Mikami Chem. Phys. Lett. 506 2011 221
18. J. Harris Phys. Rev. B 31 1985 1770
19. B. Farid, V. Heine, G.E. Engel, and I.J. Robertson Phys. Rev. B 48 1993 11602
20. B. Silvi, and A. Savin Nature 371 1994 683
21. J.C. Santos, W. Tiznado, R. Contreras, and P. Fuentealba J. Chem. Phys. 120 2004 1670
22. W.F. Espinosa-Garcia, C.M. Ruiz-Tobon, and J.M. Osorio-Guillen Physica B 406 2011 3788
23. Y. Wang CALPHAD 28 2004 79
24. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
25. G. Kresse, and J. Furthmuller Comput. Mater. Sci. 6 1996 15
26. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
27. Y. Wang, and J.P. Perdew Phys. Rev. B 44 1991 13298
28. M. Methfessel, and A.T. Paxton Phys. Rev. B 40 1989 3616
29. P.E. Blöchl, O. Jepsen, and O.K. Andersen Phys. Rev. B 49 1994 16223
30. K. Momma, and F. Izumi J. Appl. Crystallogr. 41 2008 653
31. K. Momma, and F. Izumi J. Appl. Crystallogr. 44 2011 1272
32. S. Ogata, J. Li, and S. Yip Science 298 2002 807
33. Y. Qi, and R.K. Mishra Phys. Rev. B 75 2007 224105
34. P. Blaha, K. Schwarz, and P.H. Dederichs Phys. Rev. B 38 1988 9368
35. D.H. Sastry, Y.V.R. Prasad, and K.I. Vasu Scripta Matall. Mater. 3 1969 927
36. A. Couret, and D. Caillard Acta Metall. Mater. 33 1985 1447
37. T.W. Fan, B.Y. Tang, L.M. Peng, and W.J. Ding Scripta Mater. 64 2011 942
38. J. Han, X.M. Su, Z.H. Jin, and Y.T. Zhu Scripta Mater. 64 2011 693
39. H.-Y. Wang, N. Zhang, C. Wang, and Q.-C. Jiang Scripta Mater. 65 2011 723
40. A. Datta, U.V. Waghmare, and U. Ramamurty Acta Mater. 56 2008 2531
41. L. Wen, P. Chen, Z.F. Tong, B.Y. Tang, L.M. Peng, and W.J. Ding Eur. Phys. J. B 72 2009 397