Ferromagnetism, adatom effect, and edge reconstruction induced by Klein boundary in graphene nanoribbons

被引：8

作者：

Bao, Zhi-qiang ^{[1
,2
]}

Shi, Jun-jie ^{[1
,2
]}

Zhang, Min ^{[3
]}

机构：

[1] Peking Univ, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China

[2] Peking Univ, Dept Phys, Beijing 100871, Peoples R China

[3] Inner Mongolia Normal Univ, Coll Phys & Electron Informat, Inner Mongolia Key Lab Phys & Chem Funct Mat, Hohhot 010022, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2013年 / 113卷 / 19期

基金：

北京市自然科学基金; 中国国家自然科学基金;

关键词：

STATE;

D O I：

10.1063/1.4805348

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic structure and magnetic characteristics of Klein graphene nanoribbons (KGNRs), as observed by Suenaga and Koshino [K. Suenaga and M. Koshino, Nature 468, 1088 (2010)], are investigated using first-principles calculations. We find three new characteristics induced by the Klein boundary. First, the localized edge states in the KGNRs have a ferromagnetic coupling rather than the antiferromagnetic coupling of the zigzag graphene nanoribbons (ZGNRs). Lieb's theorem is no longer applicable in the KGNRs. Second, the marginal single carbon adatom of the ZGNRs can destroy the edge states nearby. The edge states can recover if the length of the zigzag chains is equal to or greater than five times that of the lattice constant. Finally, we show that the pentagon-heptagon edge can be induced from the Klein boundary. (C) 2013 AIP Publishing LLC.

引用

页数：7

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