Phonon instability and ideal strength of silicene under tension

Computational Materials Science

Volumn 95, Issue , 2014, Pages 420-428

  Yang, Chuanghua ^a   Yu, Zhongyuan ^a   Lu, Pengfei ^a   Liu, Yumin ^a   Ye, Han ^a   Gao, Tao ^b  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Ab initio calculation; Band structure; Ideal strength; Phonon instability; Silicene; Spin orbital coupling

Indexed keywords

BAND STRUCTURE; ELECTRONIC PROPERTIES; GRAPHENE; PHONONS; STABILITY; STRESS-STRAIN CURVES; TENSILE STRAIN;

AB INITIO CALCULATIONS; IDEAL STRENGTH; PHONON INSTABILITIES; SILICENE; SPIN-ORBITAL COUPLING;

TENSILE STRENGTH; BAND STRUCTURE;

EID: 84906823299     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.07.046     Document Type: Article

References (36)

1. Y.-M. Lin, C. Dimitrakopoulos, K.A. Jenkins, D.B. Farmer, H.-Y. Chiu, A. Grill, and P. Avouris Science 327 2010 662
2. Y. Ma, Y. Dai, M. Guo, and B. Huang Phys. Rev. B 85 2012 235448
3. V. Tozzini, and V. Pellegrini J. Phys. Chem. C 115 2011 25523 25528
4. C. Lee, X. Wei, J.W. Kysar, and J. Hone Science 321 2008 385 388
5. S. Cahangirov, M. Topsakal, E. Aktürk, H. Şahin, and S. Ciraci Phys. Rev. Lett. 102 2009 236804 236807
6. M. Houssa, G. Pourtois, V.V. Afanas'ev, and A. Stesmans Appl. Phys. Lett. 97 2010 112106 112108
7. H. Şahin, S. Cahangirov, M. Topsakal, E. Bekaroglu, E. Akturk, R.T. Senger, and S. Ciraci Phys. Rev. B 80 2009 155453 155464
8. H. Nakano, T. Mitsuoka, M. Harada, K. Horibuchi, H. Nozaki, N. Takahashi, T. Nonaka, Y. Seno, and H. Nakamura Angew. Chem. Int. Ed. 45 2006 6303 6306
9. C. Leandri, G.L. Lay, B. Aufray, C. Girardeaux, J. Avila, M.E. Dávila, M.C. Asensio, C. Ottaviani, and A. Cricenti Surf. Sci. 574 2005 L9 L15
10. B. Lalmi, H. Oughaddou, H. Enriquez, A. Kara, S. Vizzini, B. Ealet, and B. Aufray Appl. Phys. Lett. 97 2010 223109
11. F. Guinea, M.I. Katsnelson, and A.K. Geim Nat. Phys. 6 2010 30 33
12. X. Wei, B. Fragneaud, C.A. Marianetti, and J.W. Kysar Phys. Rev. B 80 2009 205407
13. F. Liu, P. Ming, and J. Li Phys. Rev. B 76 2007 064120
14. H.J. Zhao Phys. Lett. A 376 2012 3546 3550
15. R. Qin, C.H. Wang, W.J. Zhu, and Y.L. Zhang Aip Adv. 2 2012 022159 022164
16. H.L. Zhang, and R. Wang Phys. B - Condens. Matter 406 2011 4080 4084
17. Q. Peng, X. Wen, and S. De RSC Adv. 3 2013 13772 13781
18. D.M. Clatterbuck, C.R. Krenn, M.L. Cohen, and J.W. Morris Phys. Rev. Lett. 91 2003 135501
19. S.M.M. Dubois, G.M. Rignanese, T. Pardoen, and J.C. Charlier Phys. Rev. B 74 2006 235203
20. S.-H. Jhi, S.G. Louie, M.L. Cohen, and J.W. Morris Phys. Rev. Lett. 87 2001 075503
21. J. Li, A.H.W. Ngan, and P. Gumbsch Acta Mater. 51 2003 5711 5742
22. E. Scalise, M. Houssa, G. Pourtois, B. Broek, V. Afanas'ev, and A. Stesmans Nano Res. 6 2013 19 28
23. P.E. Blöchl Phys. Rev. B 50 1994 17953 17979
24. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758 1775
25. G. Kresse, and J. Hafner Phys. Rev. B 48 1993 13115 13118
26. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15 50
27. Y. Ding, and J. Ni Appl. Phys. Lett. 95 2009 083115 083117
28. C.C. Liu, W.X. Feng, and Y.G. Yao Phys. Rev. Lett. 107 2011 076802 076805
29. A. Togo, F. Oba, and I. Tanaka Phys. Rev. B 78 2008 134106
30. C.A. Marianetti, and H.G. Yevick Phys. Rev. Lett. 105 2010 245502
31. N.D. Drummond, V. Zolyomi, and V.I. Fal'ko Phys. Rev. B 85 2012 075423 075429
32. J. Balakrishnan, G. Kok Wai Koon, M. Jaiswal, A.H. Castro Neto, and B. Ozyilmaz Nat. Phys. 9 2013 284 287
33. D. Amrit, and E.P. Craig J. Phys.: Condens. Matter 26 2014 045801
34. D. Rideau, M. Feraille, L. Ciampolini, M. Minondo, C. Tavernier, H. Jaouen, and A. Ghetti Phys. Rev. B 74 2006 195208 195227
35. J.M. Hinckley, and J. Singh Phys. Rev. B 42 1990 3546 3566
36. C.H. Yang, Z.Y. Yu, Y.M. Liu, P.F. Lu, T. Gao, M. Li, and S. Manzoor Phys. B: Condens. Matter 427 2013 62 67