Empirical tight-binding model for titanium phase transformations

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 9, 2006, Pages

  Trinkle, D R ^a,b   Jones, M D ^b,c   Hennig, R G ^d   Rudin, S P ^b   Albers, R C ^b   Wilkins, J W ^d  

^a AIR FORCE RESEARCH LABORATORY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c UNIVERSITY AT BUFFALO   (United States)

^d OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33645421764     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.094123     Document Type: Article

References (33)

1. Titanium and Titanium Alloys: Fundamentals and Applications, edited by, C. Leyens, and, M. Peters,, (Wiley-VCH, Weinheim, 2003).
2. S. K. Sikka, Y. K. Vohra, and R. Chidambaram, Prog. Mater. Sci. PRMSAQ 0079-6425 10.1016/0079-6425(82)90002-0 27, 245 (1982).
3. D. R. Trinkle, R. G. Hennig, S. G. Srinivasan, D. M. Hatch, M. D. Jones, H. T. Stokes, R. C. Albers, and J. W. Wilkins, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.025701 91, 025701 (2003).
4. D. R. Trinkle, D. M. Hatch, H. T. Stokes, R. G. Hennig, and R. C. Albers, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.014105 72, 014105 (2005).
5. M. J. Mehl and D. A. Papaconstantopoulos, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2002-00356-y 60, 248 (2002).
6. S. P. Rudin, M. D. Jones, and R. C. Albers, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.094117 69, 094117 (2004).
7. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
8. J. C. Slater and G. F. Koster, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.94.1498 94, 1498 (1954).
9. M. J. Mehl and D. A. Papaconstantopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.4519 54, 4519 (1996).
10. R. E. Cohen, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.14694 50, 14694 (1994).
11. S. H. Yang, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.R2013 57, R2013 (1998).
12. D. J. Singh, Planewaves, Pseudopotentials and the LAPW Method (Kluwer Academic, Boston, 1994).
13. P. Blaha, K. Schwart, and J. Luitz, WIEN97: A Full Potential Linearized Augmented Plane Wave Package for Calculating Crystal Properties (Technical Universität Wien, Austria, 1999).
14. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
15. D. J. Chadi and M. L. Cohen, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.8.5747 8, 5747 (1973).
16. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
17. D. A. Papaconstantopoulos, Handbook of the Band Structure of Elemental Solids (Plenum, New York, 1986).
18. M. D. Jones and R. C. Albers, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.134105 66, 134105 (2002).
19. J. F. Cornwell, Group Theory and Electronic Energy Bands in Solids (North-Holland, Amsterdam, 1969).
20. D. W. Marquardt, J. Soc. Ind. Appl. Math. JSIMAV 0368-4245 10.1137/0111030 11, 431 (1963).
21. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, R558 (1993).
22. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
23. K. Kunc and R. M. Martin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.406 48, 406 (1982).
24. S. Wei and M. Y. Chou, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.2799 69, 2799 (1992).
25. W. Frank, C. Elsässer, and M. Fähnle, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.1791 74, 1791 (1995).
26. K. Parlinski, Z.-Q. Li, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063 78, 4063 (1997).
27. G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties (MIT Press, Cambridge, MA, 1971).
28. W. Petry, A. Heiming, J. Trampenau, M. Alba, C. Herzig, H. R. Schober, and G. Vogl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.10933 43, 10933 (1991).
29. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976).
30. C. Stassis, D. Arch, B. N. Harmon, and N. Wakabayashi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.19.181 19, 181 (1979).
31. W. G. Burgers, Physica (Utrecht) PHYSAG 0031-8914 10.1016/S0031-8914(34) 80244-3 1, 561 (1934).
32. K. M. Ho, C. L. Fu, and B. N. Harmon, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.29.1575 29, 1575 (1984).
33. R. G. Hennig, D. R. Trinkle, J. Bouchet, S. G. Srinivasan, R. C. Albers, and J. W. Wilkins, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1292 4, 129 (2005).