In search of new candidates for ultra-hard materials: The ternary BC 3N3 stoichiometry

Journal of Physics and Chemistry of Solids

Volumn 64, Issue 9-10, 2003, Pages 1539-1545

  Weihrich, R ^a   Matar, S F ^a   Betranhandy, E ^a  

^a INST CHIM MATIERE COND BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

HARDNESS; PROBABILITY DENSITY FUNCTION; STOICHIOMETRY;

ULTRA-HARD MATERIALS;

BORON COMPOUNDS;

EID: 0042737991     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3697(03)00171-9     Document Type: Conference Paper

References (45)

1. Badzian A.R. Mater. Res. Bull. 16:1981;1385.
2. Nakano S., Akaisji M., Sasaki T., Yamaoka S. Chem. Mater. 6:1994;2246.
3. Knittle E., Kaner R.B., Jeanloz R., Cohen M.L. Phys. Rev. B. 51:1995;12149.
4. Vel L., Demazeau G., Etourneau J. Mater. Sci. Engng B. 10:1991;149.
5. Singh B.P. Mater. Res. Bull. 21:1986;85.
6. Kouvetakis J., Sasaki T., Shen C., Hagiwara R., Lerner M., Krishnan K.M., Bartlett N. Synth. Met. 34:1990;1.
7. Kaner R.B., Kouvetakis J., Warble C.E., Sattler M.L., Bartlett N. Mater. Res. Bull. 22:1987;399.
8. Mattesini M., Matar S.F., Snis A., Eterneau J., Mavromaras A. J. Mater. Chem. 9:1999;3162.
9. Williams D., Pleune B., Kouvetakis J., Williams M.D., Andersen R.A. J. Am. Soc. 122:2000;7735-7741.
10. Solozhenko L., et al. Appl. Phys. Lett. 78:2001;1385.
11. M. Mattesini, S.F. Matar, Comput. Mater. Sci. 20 (2001) 107. Mattesini M., Matar S.F. Int. J. Inorg. Mater. 3:2001;943 Mattesini M., Matar S.F. Phys. Rev.B. 65:2002;075110.
12. M. Mattesini, S.F. Matar, Comput. Mater. Sci. 20 (2001) 107. Mattesini M., Matar S.F. Int. J. Inorg. Mater. 3:2001;943 Mattesini M., Matar S.F. Phys. Rev.B. 65:2002;075110.
13. M. Mattesini, S.F. Matar, Comput. Mater. Sci. 20 (2001) 107. Mattesini M., Matar S.F. Int. J. Inorg. Mater. 3:2001;943 Mattesini M., Matar S.F. Phys. Rev.B. 65:2002;075110.
14. Mattesini M., Matar S.F., Snis A., Etourneau J., Mavromaras A. J. Mater. Chem. 10:2000;709.
15. Birch F. J. Geophys. Res. B3. 83:1978;1257.
16. Reuss A. Z. Angew. Math. Mech. 9:1929;49.
17. Teter D.M., Hemley R.J. Science. 271:1996;53-55.
18. Miyamoto Y., Cohen M.L., Louie S.G. Phys. Rev. B. 52:1995;14971.
19. Liu A.Y., Wentzcovitch R.M., Cohen M.L. Phys. Rev. B. 39:1989;1760.
20. Nozaki H., Itoh S. Phys. Rev. B. 53:1995;14161 Nozaki H., Itoh S. J. Phys. Chem. Solids. 57:1995;41.
21. Nozaki H., Itoh S. Phys. Rev. B. 53:1995;14161 Nozaki H., Itoh S. J. Phys. Chem. Solids. 57:1995;41.
22. Kar T., Cuma M., Scheiner S. J. Phys. Chem. A. 102:1998;10134.
23. Saalfrank P., Rümler W., Hummel H.-U., Ladik J. Synth. Met. 52:1992;1.
24. Bando Y., Nakano S., Karrashima K. J. Electron. Microsc. 45:1996;135.
25. Komatsu T., Nimura M., Kakudate Y., Fujiwara S. J. Mater. Res. 6:1996;1799.
26. Lambrecht W.R.L., Segall B. Phys. Rev. B. 40:1989;9909.
27. Kohn W., Sham L.J. Phys. Rev. A. 140:1965;1133 Hohenberg P., Kohn W. Phys. Rev. B. 136:1964;864.
28. Kohn W., Sham L.J. Phys. Rev. A. 140:1965;1133 Hohenberg P., Kohn W. Phys. Rev. B. 136:1964;864.
29. Kresse G., Hafner J. Phys. Rev. B. 47:1993;558 Kresse G., Hafner J. Phys. Rev. B. 49:1994;14251
30. Kresse G., Hafner J. Phys. Rev. B. 47:1993;558 Kresse G., Hafner J. Phys. Rev. B. 49:1994;14251
31. Kresse G., Furthmüller J. Comput. Mater. Sci. 6:1996;15 Kresse G., Furthmüller J. Phys. Rev. B. 54:1996;11169.
32. Kresse G., Furthmüller J. Comput. Mater. Sci. 6:1996;15 Kresse G., Furthmüller J. Phys. Rev. B. 54:1996;11169.
33. Vanderbilt D. Phys. Rev. B. 41:1990;7892.
34. Ceperley D.M., Alder B.J. Phys. Rev. Lett. 45:1980;1196.
35. Press W.H., Flannery B.P., Teukolsky S.A., Vetterling W.T. em Numerical Recipes. 1986;Cambridge University Press, New York.
36. Blöchl P.E., Jepsen O., Anderson O.K. Phys. Rev. B. 49:1994;16223.
37. Methfessel M., Paxton A.T. Phys. Rev. B. 40:1989;3616.
38. Monkhorst H.J., Pack J.D. Phys. Rev. B. 13:1976;5188.
39. Blaha P., Schwarz K., Madsen G.K.H., Kvasnicka D., Luitz J. Wien2k, an Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties. 2001;Techn. Universitaet Wien, Austria. ISBN 3-9501031-1-2.
40. Becke A.D., Edgecombe K.E. J. Chem. Phys. 92:(9):1990;5397-5403 Becke A.D., Edgecombe K.E. Nature. 371:1994;683-686.
41. Becke A.D., Edgecombe K.E. J. Chem. Phys. 92:(9):1990;5397-5403 Becke A.D., Edgecombe K.E. Nature. 371:1994;683-686.
42. The ELF was calculated using TOPOND96 (C. Gatti, user's manual, Milan, 1996) on charge densities calculated with CRYSTAL95 (R. Dovesi, V.R. Saunders, C. Roetti, M. Causà, N.M. Harrison, R. Orlando, E. Aprà, user's manual, Turin and Daresbury, 1996) in the LDA modus using all electron basis sets at the university of Regensburg, Germany, Prof. Dr K.-J. Range.
43. The ELF was calculated using TOPOND96 (C. Gatti, user's manual, Milan, 1996) on charge densities calculated with CRYSTAL95 (R. Dovesi, V.R. Saunders, C. Roetti, M. Causà, N.M. Harrison, R. Orlando, E. Aprà, user's manual, Turin and Daresbury, 1996) in the LDA modus using all electron basis sets at the university of Regensburg, Germany, Prof. Dr K.-J. Range.
44. M. Mattesini, PhD thesis, No. 2429, ICMCB, Bordeaux, 2001.
45. Kokalj A. J. Mol. XCrySDen - A new program for displaying crystaline structures, Graphics Modelling. 17:1999;176.