Temperature-driven α-to-β phase transformation in Ti, Zr and Hf from first-principles theory combined with lattice dynamics

EPL

Volumn 96, Issue 6, 2011, Pages

  Souvatzis, P ^a   Arapan, S ^a,b   Eriksson, O ^a   Katsnelson, M I ^c  

^a UPPSALA UNIVERSITY   (Sweden)

^b INSTITUTE OF CHEMISTRY   (Moldova)

^c RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 83755170334     PISSN: 02955075     EISSN: 12864854     Source Type: Journal    
DOI: 10.1209/0295-5075/96/66006     Document Type: Article

References (27)

1. K. Otsuka and C. M. Wayman (ed) 1998 Shape Memory Materials (Cambridge: Cambridge University Press)
2. Petry W. 1991 Phase Transitions 31 119
3. R. W. Cahn and P. Haasen (ed) 1996 Physical Metallurgy (Amsterdam: North Holland)
4. Fisher E. S. and Renken C. J. 1964 Phys. Rev. 135 A482
5. Hennig R. G., Lenosky T. J., Trinkle D. R., Rudin S. P. and Wilkins J. W. 2008 Phys. Rev. B 78 054121
6. Chureemart J. and Pinsook U. 2006 J. Sci. Res. Chula. Univ. 31 27
7. Persson K., Ekman M. and Ozolin V. 2000 Phys. Rev. B 61 11221
8. Moroni E. G., Grimvall G. and Jarlborg T. 1996 Phys. Rev. Lett. 76 2758
9. Lenosky T. J., Sadigh B., Alonso E., Bulatov V. V., de la Rubia T. D., Kim J., Voter A. F. and Kress J. D. 2000 Model. Simul. Mater. Sci. Eng. 8 825
10. Katsnelson M. I. 2005 Encyclopedia of Condensed Matter Physics ed G. F. Bassani, G. L. Liedl and P. Wyder (Amsterdam: Elsevier) 77
11. Car R. and Parrinello M. 1985 Phys. Rev. Lett. 55 2471
12. Souvatzis P., Eriksson O., Katsnelson M. I. and Rudin S. P. 2008 Phys. Rev. Lett. 100 095901
13. Souvatzis P., Eriksson O., Katsnelson M. I. and Rudin S. P. 2009 Comput. Mater. Sci. 44 888
14. Souvatzis P. and Rudin S. P. 2008 Phys. Rev. B 78 184304
15. Souvatzis P., Björkman T., Eriksson O., Andersson P., Katsnelson M. I. and Rudin S. P. 2009 J. Phys.: Condens. Matter 21 175402
16. Luo W., Johansson B., Eriksson O., Arapan S., Souvatzis P., Katsnelson M. I. and Ahuja R. 2010 Proc. Natl. Acad. Sci. U.S.A. 107 9962
17. Harmon B. N., Weber W. and Hamann D. R. 1982 Phys. Rev. B 25 1109
18. Katsnelson M. I., Trefilov A. V., Khlopkin M. N. and Khromov K. Yu. 2001 Philos. Mag. B 81 1893
19. Arapan S. 2008 PhD Thesis (Uppsala: Uppsala University)
20. Kresse G. and Furthmuller J. 1996 Phys. Rev. B 54 11169
21. Landau L. D. 1956 Zh. Eksp. Teor. Fiz. 30 1058
22. Cochran W. and Cowley R. A. 1967 Handbook der Physik (Berlin: Springer-Verlag)
23. Souvatzis P., Delin A. and Eriksson O. 2006 Phys. Rev. B 73 054110
24. The ELK code can be found at the web address: http://elk.sourceforge.net/
25. Jepsen O. and Andersen O. K. 1971 Solid State Commun. 9 1763
26. Petry W., Heiming A., Trampenau J., Alba M., Herzig C., Schober H. R. and Vogl G. 1991 Phys. Rev. B 43 10933
27. Stassis C., Arch D., Harmon B. N. and Wakabayashi N. 1979 Phys. Rev. B 19 181