Origin of band gaps in graphene on hexagonal boron nitride

Jeil Jung (), Ashley M. DaSilva, Allan H. MacDonald and Shaffique Adam ()
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Jeil Jung: Graphene Research Centre, National University of Singapore
Ashley M. DaSilva: The University of Texas at Austin
Allan H. MacDonald: The University of Texas at Austin
Shaffique Adam: Graphene Research Centre, National University of Singapore

Nature Communications, 2015, vol. 6, issue 1, 1-11

Abstract: Abstract Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, including electronic many-body exchange interactions. Our theory is able to explain the observed gap behaviour by accounting first for the structural relaxation of graphene’s carbon atoms when placed on a boron nitride substrate, and then for the influence of the substrate on low-energy π-electrons located at relaxed carbon atom sites. The methods we employ can be applied to many other van der Waals heterojunctions.

Date: 2015
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DOI: 10.1038/ncomms7308

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