Low-Compressibility Carbon Nitrides

@article{Teter1996LowCompressibilityCN,
  title={Low-Compressibility Carbon Nitrides},
  author={D. Teter and R. Hemley},
  journal={Science},
  year={1996},
  volume={271},
  pages={53 - 55}
}
  • D. Teter, R. Hemley
  • Published 1996
  • Science
    • First-principles calculations of the relative stability, structure, and physical properties of carbon nitride polymorphs predict a cubic form of C3N4 with a zero-pressure bulk modulus exceeding that of diamond. Like diamond, this new phase could potentially be synthesized at high pressure and quenched to ambient pressure for use as a superhard material. The calculations also predict that α-C3N4 and graphite-C3N4 are energetically favored relative to β-C3N4 and that published diffraction data… CONTINUE READING
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    Our LDA results at the same level of theory and convergence calculate a diamond Ko of 468 GPa
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