Theoretical investigations of the polytypism in silicon carbide: Contribution of the vacancy formation

Physica Status Solidi (C) Current Topics in Solid State Physics

Volumn 8, Issue 2, 2011, Pages 583-585

  Ito, Tomonori ^a   Kondo, Tomoyuki ^a   Akiyama, Toru ^a   Nakamura, Kohji ^a  

^a MIE UNIVERSITY   (Japan)

Author keywords

Computer simulations; Silicon carbide; Structural properties; Vacancy formation

Indexed keywords

AB INITIO PSEUDOPOTENTIALS; ALN; ENERGY DIFFERENCES; HIGH TEMPERATURE; LOW TEMPERATURES; POLYTYPES; POLYTYPISM; RICH CONDITIONS; SIC POLYTYPES; STABLE STRUCTURES; THEORETICAL INVESTIGATIONS; TOTAL ENERGY CALCULATION; VACANCY FORMATION; VACANCY FORMATION ENERGIES; WURTZITES; ZINC BLENDE;

COMPUTATIONAL METHODS; COMPUTER SIMULATION; POLYMORPHISM; SILICON; ZINC SULFIDE;

SILICON CARBIDE;

EID: 79951707719     PISSN: 18626351     EISSN: 16101642     Source Type: Journal    
DOI: 10.1002/pssc.201000401     Document Type: Article

References (14)

1. A. R. Verma and P. Krishna, Polymorphism and Polytypism in Crystals (John Wiley & Sons, Inc., New York, 1966).
2. C. Cheng, R. J. Needs, and V. Heine, J. Phys. C 21, 1049 (1988).
3. J. J. A. Shaw and V. Heine, J. Phys.: Condens. Matter 2, 4351 (1990).
4. C. Raffy, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 66, 075201 (2002).
5. P. Käckell, B. Wenzien, and F. Bechstedt, Phys. Rev. B 50, 17037 (1994).
6. T. Ito, K. Sano, T. Akiyama, and K. Nakamura, Thin Solid Films 508, 243 (2006).
7. W. F. Knippenberg, Philips Res. Rept. 18, 161 (1963).
8. W. Weltner Jr., J. Chem. Phys. 51, 2469 (1969).
9. L. B. Griffiths, J. Phys. Chem. Solids 27, 257 (1966).
10. P. Krishna, R. Marshall, and C. E. Ryan, J. Cryst. Growth 8, 129 (1971).
11. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
12. N. Troullier and J. L. Martins, Phys. Rev. B 43 (1991) 1993.
13. A. Zywietz, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 59, 15166 (1999)
14. T. Ito, Jpn. J. Appl. Phys. 37, L1217 (1998).