An ab initio calculation of the ideal tensile strength of β-silicon nitride

Physical Review B - Condensed Matter and Materials Physics

Volumn 64, Issue 17, 2001, Pages

  Ogata, Shigenobu ^a   Hirosaki, Naoto ^b   Kocer, Cenk ^b   Kitagawa, Hiroshi ^a  

^a OSAKA UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

SILICON NITRIDE;

ARTICLE; CRYSTAL STRUCTURE; ELASTICITY; MOLECULAR DYNAMICS; STRESS STRAIN RELATIONSHIP; TENSILE STRENGTH; YOUNG MODULUS;

EID: 0012235190     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.172102     Document Type: Article

References (26)

1. F. de Brito Mota, J F. Justo, and A. Fazzio, Phys. Rev. B58, 8323 (1998).
2. R. Belkada, T. Shibayanagi, and M. Naka, J. Am. Ceram. Soc.83, 2449 (2000).
3. A Y. Liu and M L. Cohen, Phys. Rev. B41, 10 727 (1990).
4. S. Ogata, H. Kitagawa, and N. Hirosaki, in Proceedings of the 10th International Congress on Fracture (Elsevier, New York, in press).
5. D K. Remler and P A. Madden, Mol. Phys.70, 6 921 (1990).
6. R. Car and M. Parrinello, Phys. Rev. Lett.55, 2471 (1985).
7. P. Hohenberg and W. Kohn, Phys. Rev.136, B864 (1964).
8. W. Kohn and L J. Sham, Phys. Rev.140, A1133 (1965).
9. M. Kohyama, Philos. Mag. Lett.79, 659 (1999).
10. D M. Bylander, L. Kleinman, and S. Lee, Phys. Rev. B42, 1394 (1990).
11. H J. Monkhorst and J D. Pack, Phys. Rev. B13, 5189 (1978).
12. J P. Perdew and A. Zunger, Phys. Rev. B23, 5048 (1981).
13. N. Troullier and J L. Martins, Phys. Rev. B43, 1993 (1991).
14. L. Kleinman and D M. Bylander, Phys. Rev. Lett.48, 1425 (1982).
15. I H. Lee, S G. Lee, and K J. Chang, Phys. Rev. B51, 14 697 (1995).
16. O H. Nielsen and R M. Martin, Phys. Rev. B32, 3792 (1985).
17. R. Grün, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem.35, 800 (1979).
18. M. Yoshimura, T. Nishioka, A. Yamakawa, and M. Miyake, J. Ceram. Soc. Jpn.103, 407 (1995).
19. Y. Ukyo and S. Wada, Seramikkusu97, 872 (1989).
20. T. Yamamoto, T. Nishioka, K. Matunuma, A. Yamakawa, and M. Miyake, in Proceedings of the 1st International Symposium on the Science of Engineering Ceramics, Japan, 1991, edited by S. Kimura and K. Niihara (Ceramic Society of Japan, Tokyo, 1991), p. 115.
21. N. Hirosaki and Y. Akimune, J. Am. Ceram. Soc.76, 1892 (1993).
22. J A. Wendal and W A. Goddard, III, J. Chem. Phys.97, 5048 (1992).
23. W.-Y. Ching, Y-N. Xu, J D. Gale, and M. Rühle, J. Am. Ceram. Soc.81, 3189 (1998).
24. J C. Hay, E Y. Sun, G M. Pharr, P F. Becher, and K B. Alexander, J. Am. Ceram. Soc.81, 2661 (1998).
25. W. Li and T. Wang, Phys. Rev. B59, 3993 (1999).
26. Wenhui Duan, G. Paiva, R M. Wentzcovitch, and A. Fazzio, Phys. Rev. Lett.81, 3267 (1998).