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

Yuejin Guo; William A. Goddard

doi:10.1016/0009-2614(95)00267-8

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

Yuejin Guo
, William A. Goddard

Beckman Institute

Research output: Contribution to journal › Article › peer-review

Abstract

It has been believed that C₃N₄ 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-C₃N₄ is in good agreement with transmission electron diffraction (TED) studies, supporting the identity of the films as α-C₃N₄. The bulk modulus of α-C₃N₄ is calculated to be 189 GPa, significantly less than diamond (436 GPa calculated, 442 GPa experimental). However, α-C₃N₄ is predicted to have a negative Poisson ratio. This may lead to interesting applications.

Original language	English
Pages (from-to)	72-76
Number of pages	5
Journal	Chemical Physics Letters
Volume	237
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(95)00267-8
Publication status	Published - 5 May 1995
Externally published	Yes

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

abstract = "It has been believed that C3N4 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-C3N4 is in good agreement with transmission electron diffraction (TED) studies, supporting the identity of the films as α-C3N4. The bulk modulus of α-C3N4 is calculated to be 189 GPa, significantly less than diamond (436 GPa calculated, 442 GPa experimental). However, α-C3N4 is predicted to have a negative Poisson ratio. This may lead to interesting applications.",

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AU - Goddard, William A.

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N2 - It has been believed that C3N4 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-C3N4 is in good agreement with transmission electron diffraction (TED) studies, supporting the identity of the films as α-C3N4. The bulk modulus of α-C3N4 is calculated to be 189 GPa, significantly less than diamond (436 GPa calculated, 442 GPa experimental). However, α-C3N4 is predicted to have a negative Poisson ratio. This may lead to interesting applications.

AB - It has been believed that C3N4 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-C3N4 is in good agreement with transmission electron diffraction (TED) studies, supporting the identity of the films as α-C3N4. The bulk modulus of α-C3N4 is calculated to be 189 GPa, significantly less than diamond (436 GPa calculated, 442 GPa experimental). However, α-C3N4 is predicted to have a negative Poisson ratio. This may lead to interesting applications.

UR - https://www.scopus.com/pages/publications/0003142089

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

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

Abstract

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