Efficient ab-initio calculation of the elastic properties of nanocrystalline silicon

Journal of Computational and Theoretical Nanoscience

Volumn 4, Issue 1, 2007, Pages 65-70

  Kim, Hansung ^a   Windl, Wolfgang ^a  

^a Ohio State University   (United States)

Author keywords

First principle modeling; Nanocrystalline silicon; Size dependent elastic properties

Indexed keywords

APPROXIMATION THEORY; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY; GRAIN BOUNDARIES; GRAIN SIZE AND SHAPE; INTERPOLATION; MATHEMATICAL MODELS;

FIRST-PRINCIPLE MODELING; SIZE DEPENDENCE; SIZE EFFECTS;

NANOCRYSTALLINE SILICON;

EID: 34247364551     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (30)

1. Research Triangle Institute, Air Force Avionics Laboratory, and United States Air Force Systems Command Research and Technology Division. Integrated Silicon Device Technology, Research Triangle Institute, Durham, N.C. (1963).
2. T. Manku and A. Nathan, J. Appl. Phys. 74, 1832 (1993).
3. Z. Z. Sun, S. F. Yoon, and W. K. Loke, J. Cryst. Growth 235, 8 (2002).
4. K. E. Petersen, Proc. IEEE 70, 420 (1982).
5. B. Stark, JPL Publication 99-1, Jet Propulsion Laboratory, Pasadena (1999).
6. W. N. Sharpe, S. Brown, G. C. Johnson, and W. Knauss, Microelectromechanical Structures for Materials Research, edited by S. B. Brown, C. Muhlstein, P. Krulevitch, G. C. Johnston, R. T. Howe, and J. R. Gilbert, Materials Research Society, Warrendale, PA (1998), Vol. 518, p. 57.
7. W. N. Sharpe, K. M. Jackson, and K. J. Hemker, J. Microelectromech. Syst. 10, 317 (2001).
8. W. N. Sharpe, K. T. J. Turner, and R. L. Edwards, Exp. Mech. 39, 161 (1999).
9. S. Greek, F. Ericson, S. Johansson, M. Furtsch, and A. Rump, J. Micromech. Microeng. 9, 245 (1999).
10. T. D. Shen, C. C. Koch, T. Y. Tsui, and G. M. Pharr, J. Mater. Res. 10, 2892 (1995).
11. S. Ögüt, J. R. Chelikowsky, and S. G. Louie, Phys. Rev. Lett. 79, 1770 (1997).
12. J. Q. Broughton, C. A. Meli, P. Vashishta, and R. K. Kalia, Phys. Rev. B 56, 611 (1997).
13. R. E. Rudd, Analog Integr. Circ. S. 29, 17 (2001).
14. M. D. Kluge, D. Wolf, J. F. Lutsko, and S. R. Phillpot, J. Appl. Phys. 67, 2370 (1990).
15. J. Schiøtz, F. D. D. Tolla, and K. W. Jacobsen, Nature 391, 561 (1998).
16. S. R. Phillpot, D. Wolf, and H. Gleiter, J. Appl. Phys. 78, 847 (1995).
17. P. Keblinski, S. R. Phillpot, D. Wolf, and H. Gleiter, Acta Mater. 45, 987 (1997).
18. F. H. Stillinger and T. A. Weber, Phys. Rev. B 31, 5262 (1985).
19. T. J. Lenosky, B. Sadigh, E. Alonso, V. V. Bulatov, T. D. de la Rubia, J. Kim, A. F. Voter, and J. D. Kress, Model. Simul. Mater. Sci. 8, 825 (2000).
20. J. Choi, Ph.D. Thesis, Mechanical Engineering, The Ohio State University, Columbus (2003).
21. B. Luan and M. O. Robbins, Nature 435, 929 (2005).
22. H. Sawada, H. Ichinose, and M. Kohyama, J. Electron Microsc. 51, 353 (2002).
23. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
24. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
25. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996).
26. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
27. G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994).
28. Physics of Group-IV and III-V Compounds, edited by O. Madelung and Landolt-Börnstein, New Series, Group III, Springer, Berlin (1982), Vol. 17, Part A.
29. A. Martín-Meizoso and J. M. Martínez Esnaola, Mater. Sci. Forum 113, 361 (1993).
30. E. E. Underwood, Quantitative Stereology, The Addison-Wesley Publishing Company, Reading, MA (1970).