Topological metal-insulator transition in narrow graphene nanoribbons?

被引:10
作者
Zdetsis, Aristides D. [1 ,2 ]
Economou, E. N. [2 ]
机构
[1] Univ Patras, Dept Phys, Mol Engn Lab, GR-26500 Patras, Greece
[2] Univ Crete, Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Dept Phys, POB 1385, GR-71110 Patras, Greece
关键词
Graphene; Graphene nanoribbons; Aromaticity; Phase transition; Edge states; Topological end-states; ON-SURFACE SYNTHESIS; ELECTRONIC-STRUCTURE; AROMATICITY;
D O I
10.1016/j.carbon.2021.02.004
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 show that very narrow armchair graphene nanoribbons of length L and width of 2 zigzag-rings undergo a metal-insulator-like transition at a critical length L-c approximate to 10 nm, where the energy gap drops rather abruptly and topological "end" states appear, linked to dramatically transformed aromaticity. At L-c the conductivity, estimated through an invoked computational scheme, also rises almost discontinuously to a value near the nominal minimum conductivity of graphene sigma(min) = 4 e(2)/h. The end states (at the zigzag edges) generate sharp peaks in the density of states around the Fermi level at the Dirac points, coinciding with charge-neutrality points, associated with sigma(min). This suggests metallic-like behaviour, which however is an uncommon combination of interrelated "short-long", (or "bulk"-"edge") topological-aromatic transition(s) due to strong quantum confinement, combined with inversion symmetry conflict. This "multi-transition" is rather universal occurring also for wider AGNRs but for a much smaller L-c and in a less sharp way. The assumed lower total energy of such open states is an artefact of the mean-field treatment of the electron-electron interaction. In contrast, the topological "end" states reported here are unique and not spin, but rather pseudospin polarized. Thus, any observed magnetism should be considered non-conventional or of questionable origin. (C) 2021 Elsevier Ltd. All rights reserved.
引用
收藏
页码:548 / 557
页数:10
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