Effect of Vacancy on Electronic and Transport Properties of Graphene Nanoribbons: An Ab Initio Approach

被引：7

作者：

Chauhan, Satyendra Singh ^{[1
]}

Srivastava, Pankaj ^{[2
]}

Shrivastava, A. K. ^{[3
]}

机构：

[1] ITM Univ, Sch Sci, Gwalior 474001, MP, India

[2] ABV Indian Inst Informat Technol & Management, Gwalior 474010, MP, India

[3] Jiwaji Univ, Sch Phys, Gwalior 474001, MP, India

来源：

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2012年 / 9卷 / 12期

关键词：

Graphene Nanoribbons; Stability; Electronic; Transport; Metallic;

D O I：

10.1166/jctn.2012.2641

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report a spin-unpolarized density functional theory study of electronic and transport properties of zigzag graphene nanoribbons (ZGNRs) defected with one and two vacancy atoms. The pristine and vacancy defected structures of 8 ZGNRs are found to be metallic. The one atom vacancy ZGNRs is energetically more stable. The localized states appear when there are vacancies inside the ZGNRs, which affects its transmission. In case of two vacancies in the ZGNRs the additional peak in DOS is observed close to the Fermi level and the transmission decreases further. Hence, our results point towards the relative suitability of these materials in nanoelectronics applications.

引用

页码：2215 / 2216

页数：2

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