Ab initio DFT study of ideal shear strength of polytypes of silicon carbide

Strength of Materials

Volumn 40, Issue 1, 2008, Pages 2-6

  Umeno, Y ^a   Kinoshita, Yusuke ^b   Kitamura, T ^b  

^a INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

Abinitio simulation; Ideal strength; Shear deformation; Silicon carbide

Indexed keywords

ABINITIO SIMULATION; IDEAL SHEAR STRENGTH;

COMPRESSIVE STRESS; DENSITY FUNCTIONAL THEORY; ELASTICITY; SHEAR DEFORMATION; SHEAR STRENGTH; STACKING FAULTS; STRAIN;

SILICON CARBIDE;

EID: 40749123345     PISSN: 00392316     EISSN: 15739325     Source Type: Journal    
DOI: 10.1007/s11223-008-0002-3     Document Type: Conference Paper

References (18)

1. P. T. B. Shaffer, Acta Cryst. B, 25, 477 (1969).
2. W. J. Choyke, H. Matsunami, and G. Pensl, Silicon Carbide, Akademie Verlag, Berlin (1997).
3. W. R. L. Lambrecht, B. Segall, M. Methfessel, and M. van Schilfgaarde, Phys. Rev. B, 44, 3685 (1991).
4. P. Kackell, B. Wenzien, and F. Bechstedt, Phys. Rev. B, 50, 17037 (1994).
5. C. H. Park, B. H. Cheong, K. H. Lee, and K. J. Chang, Phys. Rev. B, 49, 4485 (1994).
6. W. Li and T. Wang, Phys. Rev. B, 59, 3993 (1999).
7. S. Ogata, J. Li, N. Hirosaki, et al., Phys. Rev. B, 70, 104104 (2004).
8. Y. Umeno, Y. Kinoshita, and T. Kitamura, Model. Simul. Mater. Sci. Eng., 15, 27 (2007).
9. G. Kresse and J. Hafner, Phys. Rev. B, 47, 558 (1993).
10. G. Kresse and J. Furthmuller, Phys. Rev. B, 54, 11169 (1996).
11. J. P. Perdew and Y. Wang, Phys. Rev. B, 45, 13244 (1992).
12. S. Ogata, Private Communication (2004).
13. D. F. Bahr, D. E. Kramer, and W. W. Germerich, Acta Mater., 46, 3605 (1998).
14. H. Ohta, H. Mura, and M. Kitano, J. Soc. Mater. Sci. Japan, 45, 1322 (1996).
15. D. Roundy and M. L. Cohen, Phys. Rev. B, 64, 212103 (2001).
16. S. Ogata, J. Li, and S. Yip, Science, 298, 807 (2002).
17. M. Cerny and J. Pokluda, Mater. Sci. Eng. A (in print).
18. C. R. Krenn, D. Roundy, M. L. Cohen, et al., Phys. Rev. B, 65, 134111 (2002).