Stability of edge states and edge magnetism in graphene nanoribbons

被引：201
作者：
Kunstmann, Jens [1 ]
Ozdogan, Cem [2 ]
Quandt, Alexander [3 ,4 ,5 ]
Fehske, Holger [3 ]
机构：
[1] Tech Univ Dresden, Inst Mat Sci, D-01069 Dresden, Germany
[2] Cankaya Univ, Dept Mat Sci & Engn, TR-06530 Ankara, Turkey
[3] Ernst Moritz Arndt Univ Greifswald, Inst Phys, D-17489 Greifswald, Germany
[4] Univ Witwatersrand, Sch Phys, ZA-2050 Wits, South Africa
[5] Univ Witwatersrand, DST NRF Ctr Excellence Strong Mat, ZA-2050 Wits, South Africa
来源：
PHYSICAL REVIEW B | 2011年 / 83卷 / 04期
关键词：
AUGMENTED-WAVE METHOD; RIBBONS; ENERGY;
D O I：
10.1103/PhysRevB.83.045414
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We critically discuss the stability of edge states and edge magnetism in zigzag edge graphene nanoribbons (ZGNRs). We point out that magnetic edge states might not exist in real systems and show that there are at least three very natural mechanisms-edge reconstruction, edge passivation, and edge closure-which dramatically reduce the effect of edge states in ZGNRs or even totally eliminate them. Even if systems with magnetic edge states could be made, the intrinsic magnetism would not be stable at room temperature. Charge doping and the presence of edge defects further destabilize the intrinsic magnetism of such systems.
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页数：8
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