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2010). Further work is needed here that could lead to new materials. 5 Superhard Oxides Unlike carbides and borides or even nitrides, oxides offer a unique chemical character for potential refractory applications mainly because of low reactivity with the atmosphere. Moreover, some of the oxide ceramic materials are moldable materials with beneficial mechanical properties such as considerable hardness, good chemical resistance, high tensile strength, and a good fracture toughness. Silica (SiO2) with its many polytypes is often thought as being a basis for the simplest of the oxides.

The conditions under which this bond effectively collapses is also consistent with the predicted synthesis pressure on the Aba2 phase that leads to either the b or spinel structures. The C–N bond is far more covalent than Si–N bonds and as such more significant for a superhard material. , 2001) on a series of spinel-related structures where the inclusion of C is associated with a larger bulk moduli. g. B4 C, B4 N, or MgAlB14) all have good technological applications and are commercially available hard materials due to their combined hardness and good oxidation resistance at elevated temperatures.

Here, both Si3N4 and C3N4 were considered using a first-principles pseudopotential study of the structural and electronic properties of a specific structure type, that is, b-Si3N4. The hypothetical compound b-C3N4, which is C3N4 in the b-Si3N4 structure (Figure 7) with C substituted for Si for the case of C3N4, was used as a prototype for investigating the properties of possible covalent C–N solids. The calculated lattice constant, bulk modulus, and electronic band structure of b-Si3N4 were found to be in good agreement with experimental results.

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