Low-Compressibility Carbon Nitrides
David M. TeterD. M. Teter, Geophysical Laboratory and Center for High Pressure Research, Carnegie Institution of Washington, Washington, DC 20015, USA, and Department of Materials Science and Engineering, Virginia Tech, Blacksburg, VA, 24061, USARussell J. HemleyR. J. Hemley, Geophysical Laboratory and Center for High Pressure Research, Carnegie Institution of Washington, 5251 Broad Branch Road, NW, Washington, DC, 20015, USA
1996en
ABI
Annotatsiya
First-principles calculations of the relative stability, structure, and physical properties of carbon nitride polymorphs predict a cubic form of C 3 N 4 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-C 3 N 4 and graphite-C 3 N 4 are energetically favored relative to β-C 3 N 4 and that published diffraction data can be re-indexed as α-C 3 N 4 with lower error.
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