Energetic stability of B-C-N monolayer

被引：37

作者：

Azevedo, S ^{[1
]}

机构：

[1] Univ Estadual Feira de Santana, Dept Fis, BR-44031460 Feira de Santana, BA, Brazil

来源：

PHYSICS LETTERS A | 2006年 / 351卷 / 1-2期

关键词：

D O I：

10.1016/j.physleta.2005.10.053

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We investigate the relative stability of several BCN structures with 32-atoms unit cell using first-principles calculations. The compounds have the topology of a graphite layer with carbon, nitrogen or boron atoms on each site. Our results indicated that formation energy of island-like configurations is comparable to the strip-like pattern. We also find compounds that have the same number of B-N and C-N bonds present different energetic stability. In addition, we showed that C-N is favored over C-B bonds. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：109 / 112

页数：4

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