Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio)
Yuejin Guo, William A. Goddard III
1995Chem. Phys. Lett., 237(1-2), 72-76
Abstract
It has been believed that C_3N_4 ceramic would be harder than diamond. Predictions are reported of the mechanical properties based on a force field derived from ab initio quantum mechanics. The predicted structure for α-C_3N_4 is in good agreement with transmission electron diffraction (TED) studies, supporting the identity of the films as α-C_3N_4. The bulk modulus of α-C_3N_4 is calculated to be 189 GPa, significantly less than diamond (436 GPa calculated, 442 GPa experimental). However, α-C_3N_4 is predicted to have a negative Poisson ratio. This may lead to interesting applications.
Group Members
Cite this publication
Guo, Y. & III, W. A. G. (1995). Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio). *Chem. Phys. Lett.*, *237*(1-2), 72-76.