Sodium-terminated zigzag graphene nanoribbon: A one-dimensional semimetal with a tilted Dirac cone

Details Sodium-terminated zigzag graphene nanoribbon: A one-dimensional semimetal with a tilted Dirac cone Sodium-terminated zigzag graphene nanoribbon: A one-dimensional semimetal with a tilted Dirac cone

2011-05-03

arxiv.org/abs/1105.0547v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Scientific paper

Using first principles pseudopotential density functional theory calculations, we find that terminating zigzag graphene nanoribbons (ZGNR) with monovalent alkali atoms at a reduced concentration has a dramatic impact on their properties. In particular, using sodium atoms for the saturation of ZGNR edges at half the concentration of edge-carbon atoms make it a one dimensional, perfect semimetal, where the valance and conduction bands meet at only a single, Dirac-like point. Unlike pristine graphene, the Dirac-"cones" of Na-ZGNR is not symmetric with respect to wave vector, but rather it is tilted.

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