First-principles study on hardness of five polymorphs of C3N4

被引：17
|
作者：
Zhao, JianZhi [1 ]
Fan, Changzeng [2 ]
机构：
[1] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China
[2] Yanshan Univ, Qinhuangdao 066004, Hebei Province, Peoples R China
来源：
PHYSICA B-CONDENSED MATTER | 2008年 / 403卷 / 10-11期
基金：
美国国家科学基金会;
关键词：
first-principles calculations; hardness; C3N4; polymorphs;
D O I：
10.1016/j.physb.2007.10.259
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Based on a new hardness model proposed by Simunek et al., the hardness of five polymorphs of C3N4 are investigated. Their hardness are more than 30 GPa which means that they are all good superhard materials. However, all these polymorphs are not harder than diamond. Comparing our results with the hardness calculated by Gao's hardness model, we find that the hardness obtained from the two hardness models are consistent in the case of five C3N4 polymorphs. (c) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码：1956 / 1959
页数：4
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