Ab initio calculations of some electronic and elastic properties for SiC polytypes

Intermetallics

Volumn 16, Issue 8, 2008, Pages 1040-1042

  Konstantinova, E ^a   Bell, M J V ^a   Anjos, V ^a  

^a FEDERAL UNIVERSITY OF JUIZ DE FORA   (Brazil)

Author keywords

A. Silicides, various; B. Elastic properties; B. Electronic structure of metals and alloys; E. Ab initio calculations; E. Electronic structure, calculation

Indexed keywords

COMPUTER SIMULATION; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; LOCAL DENSITY APPROXIMATION; PROBABILITY DENSITY FUNCTION; SILICON CARBIDE;

AB INITIO CALCULATIONS; AB INITIO SIMULATIONS; DENSITY-FUNCTIONAL (DF); ELASTIC PROPERTIES; LOCAL DENSITY-APPROXIMATION (LDA); PSEUDO POTENTIALS; SIC POLYTYPES; TOTAL ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 48349091932     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2008.06.003     Document Type: Article

References (37)

1. Anjos V., Bell M.J.V., de Vasconcelos E.A., da Silva Jr. E.F., Andrade A.A., Franco R.W.A., et al. Microelectron J 36 (2005) 977
2. Anjos V., Bell M.J.V., de Vasconcelos E.A., da Silva Jr. E.F., Andrade A.A., Franco R.W.A., et al. Mater Sci Forum 527-529 (2006) 703
3. Park C.H., Cheong B.-H., Lee K.-H., and Chang K.J. Phys Rev B 49 (1994) 4485
4. Persson C., and Lindefelt U. Phys Rev B 54 (1996) 10257
5. Vogel D., Krüger P., and Pollmann J. Phys Rev B 52 (1995) 14316
6. Persson C., and Lindefelt U. J Appl Phys 82 (1997) 5496
7. Limpijumnong S., and Lambrecht W.R.L. Phys Rev B 57 (1998) 12017
8. Halac E., Burgos E., and Bonadeo H. Phys Rev B 65 (2002) 125202
9. Jiang Z., Xu X., Wu H., Zhang F., and Jin Z. Solid State Commun 123 (2002) 263
10. Bernstein N., Gotsis H.J., Papaconstantopoulos D.A., and Mehl M.J. Phys Rev B 71 (2005) 075203
11. Schmid U., Eickhoff M., Richter Ch., Krötz G., and Schmitt-Landsiedel D. Sens Actuators A 94 (2001) 87
12. Eshun E.E., Spencer M.G., Griffin J., Zhou P., and Harris G.L. Mater Sci Eng B 25 (2003) 65
13. Wang S.-F., Hsu Y.-F., Pu J.-C., Sung J.C., and Hwa L.G. Mater Chem Phys 85 (2004) 432
14. Djemia P., Roussigne Y., Dirras G.F., and Jackson K.M. J Appl Phys 95 (2004) 2324
15. Ding Z., Zhou S., and Zhao Y. Phys Rev B 70 (2004) 184117
16. Ding Y., Park K.-B., and Pelz J.P. Phys Rev B 69 (2004) 041305
17. Davydov S.Yu., Lebedev A.A., and Posrednik O.V. Semiconductors 39 (2005) 1391
18. Fu X.-a., Dunning J.L., Zorman Ch.A., and Mehregany M. Thin Solid Films 492 (2005) 195
19. Tang M., and Yip S. Phys Rev B 52 (1995) 15150
20. Clerc D.G. J Phys Chem Solids 60 (1999) 103
21. Pennington G., and Goldsman N. Phys Rev B 64 (2001) 045104
22. Sivasubramanian K., Raju S., and Mohandas E. J Eur Ceram Soc 21 (2001) 1229
23. Monteverde F., Melandri C., and Guicciardi S. Mater Chem Phys 100 (2006) 513
24. Roy S., Zorman C., Mehregany M., DeAnna R., and Deeb C. J Appl Phys 99 (2006) 044108
25. Vashishta P., Kalia R.K., Nakano A., and Rino J.P. J Appl Phys 101 (2007) 103515
26. Hohenberg P., and Kohn W. Phys Rev 136 (1964) B864
27. Kohn W., and Sham L.J. Phys Rev 140 (1965) A1133
28. Kohn W., and Holthausen M.C. A chemist's guide to density functional theory. 2nd ed. (2001), Wiley-VCH
29. Gonze X., Beuken J.M., Caracas R., Detraux F., Funchs M., Rignanese G.-H., et al. Comput Mater Sci 25 (2002) 478
30. Payne M.C., Teter M.P., Allan D.C., Arias T.A., and Joannopoulos J.D. Rev Mod Phys 64 (1992) 1045
31. See for the official developer site.
32. Troullier N., and Martins J.L. Solid State Commun 74 (1990) 613
33. von Münch. In: Madelung O., Schulz M., and Weiss H. (Eds). New Series, Groups IV and III-V vol. 17 (1982), Springer, Berlin
34. See .
35. Mayer B., Anton H., Bott E., Methfessel M., Sticht J., Harris J., et al. Intermetallics 11 (2003) 23
36. Perdew J.P., and Wang Y. Phys Rev B 45 (1992) 13244
37. Bechstedt F., Käckell P., Zywietz A., Karch K., Adolph B., Tenelsen K., et al. Phys Status Solidi B 202 (1997) 35