First principles search of hard materials within the SiCN ternary system

Liu, 1989, Science, 245, 841, 10.1126/science.245.4920.841 M. Mattesini, Ph.D. thesis; Proposition et modélisation ab initio de nouveaux matériaux ultra-durs dans les ternaire BCN (in english), Université de Bordeaux I, 2001, No 2429. Electronic version can be found at: http://tel.ccsd.cnrs.fr/documents/archives0/00/00/31/43/index_fr.html Weihrich, 2003, J. Phys. Chem. Solids, 64, 1539, 10.1016/S0022-3697(03)00171-9 Mattesini, 2001, Comput. Mater. Sci., 20, 107, 10.1016/S0927-0256(00)00132-4 Matar, 2001, C. R. Acad. Sci. Paris, Chimie/Chemistry, 4, 255 Mattesini, 2002, Phys. Rev. B, 65, 10.1103/PhysRevB.65.075110 Lu, 2003, J. Mater. Chem., 13, 1241, 10.1039/b303210h Teter, 1996, Science, 271, 53, 10.1126/science.271.5245.53 Arhens, 1952, Geochim. Cosmochim. Acta, 2, 155, 10.1016/0016-7037(52)90004-5 Kohn, 1965, Phys. Rev. A, 140, 1133, 10.1103/PhysRev.140.A1133 Hohenberg, 1964, Phys. Rev. B, 136, 864, 10.1103/PhysRev.136.B864 Kresse, 1993, Phys. Rev. B, 47, 558, 10.1103/PhysRevB.47.558 Kresse, 1994, Phys. Rev. B, 49, 14251, 10.1103/PhysRevB.49.14251 Kresse, 1996, Comput. Mater. Sci., 6, 15, 10.1016/0927-0256(96)00008-0 Kresse, 1996, Phys. Rev. B, 54, 11169, 10.1103/PhysRevB.54.11169 Williams, 1979, Phys. Rev. B, 19, 6094, 10.1103/PhysRevB.19.6094 Eyert, 2000, Int. J. Quant. Chem., 77, 1007, 10.1002/(SICI)1097-461X(2000)77:6<1007::AID-QUA8>3.0.CO;2-U Vanderbilt, 1990, Phys. Rev. B, 41, 7892, 10.1103/PhysRevB.41.7892 Ceperley, 1980, Phys. Rev. Lett., 45, 1196, 10.1103/PhysRevLett.45.566 Perdew, 1986, Phys. Rev. B, 33, 8822, 10.1103/PhysRevB.33.8822 Perdew, 1992, Phys. Rev. B, 46, 6671, 10.1103/PhysRevB.46.6671 Press, 1986 Blöchl, 1994, Phys. Rev. B, 49, 16223, 10.1103/PhysRevB.49.16223 Methfessel, 1989, Phys. Rev. B, 40, 3616, 10.1103/PhysRevB.40.3616 Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188 Birch, 1978, J. Geophys. Res., 83, 1257, 10.1029/JB083iB03p01257 Teter, 1999 Cohen, 1989, Phys. Rev. B, 41, 15 Becke, 1990, J. Chem. Phys., 92, 5397, 10.1063/1.458517 Becke, 1994, Nature, 371, 683, 10.1038/371683a0 Soignard, 2001, J. Phys. Condens. Matter, 13, 557, 10.1088/0953-8984/13/4/302 Borgen, 1961, Acta Chem. Scand., 15, 1789, 10.3891/acta.chem.scand.15-1789