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Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio)

Guo, Yuejin and Goddard, William A., III (1995) Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio). Chemical Physics Letters, 237 (1-2). pp. 72-76. ISSN 0009-2614. doi:10.1016/0009-2614(95)00267-8.

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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.

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Goddard, William A., III0000-0003-0097-5716
Additional Information:© 1995 Elsevier. Received 21 December 1994, Accepted 21 February 1995. The research was funded by the NSF (CHE 91-100289). Some of the computations were carried out at the NSF Pittsburgh Supercomputing Center or on the JPL-Cray. The facilities of the MSC used in this research were supported by grants from DOE-AICD, NSF-ASC, Allied-Signal Corp., Asahi Chemical, Asahi Glass, Chevron Petroleum Technology, BF Goodrich, Hughes Research, Teijin Ltd, Vestar, and Beckman Institute
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NSFCHE 91-100289
Department of Energy (DOE)UNSPECIFIED
Chevron Petroleum Technology Co.UNSPECIFIED
Hughes Research LaboratoriesUNSPECIFIED
Caltech Beckman InstituteUNSPECIFIED
Issue or Number:1-2
Record Number:CaltechAUTHORS:20170408-155048927
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Official Citation:Yuejin Guo, William A. Goddard, Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio), Chemical Physics Letters, Volume 237, Issue 1, 1995, Pages 72-76, ISSN 0009-2614, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:76079
Deposited By: 1Science Import
Deposited On:23 May 2017 21:02
Last Modified:15 Nov 2021 16:57

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