IS CARBON NITRIDE HARDER THAN DIAMOND - NO, BUT ITS GIRTH INCREASES WHEN STRETCHED (NEGATIVE POISSON RATIO)

被引：154

作者：

GUO, YJ ^{[1
]}

GODDARD, WA ^{[1
]}

机构：

[1] CALTECH, BECKMAN INST 13974, CTR MAT & MOLEC SIMULAT, DIV CHEM & CHEM ENGN CN8690, PASADENA, CA 91125 USA

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 237卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(95)00267-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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

引用

页码：72 / 76

页数：5

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