Buckled graphene: A model study based on density functional theory

被引：7

作者：

Khan, M. A. ^{[1
]}

Mukaddam, M. A. ^{[1
]}

Schwingenschloegl, U. ^{[1
]}

机构：

[1] KAUST, PSE Div, Thuwal 239556900, Saudi Arabia

来源：

CHEMICAL PHYSICS LETTERS | 2010年 / 498卷 / 1-3期

关键词：

CARBON; GE(001);

D O I：

10.1016/j.cplett.2010.08.059

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：

We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. (C) 2010 Elsevier B. V. All rights reserved.

引用

页码：157 / 161

页数：5

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