Origin of band gaps in graphene on hexagonal boron nitride

Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H.; Adam, Shaffique

doi:10.1038/ncomms7308

Title: Origin of band gaps in graphene on hexagonal boron nitride

Journal Article · Thu Feb 19 00:00:00 EST 2015 · Nature Communications

DOI:https://doi.org/10.1038/ncomms7308· OSTI ID:1623965

^[1]; DaSilva, Ashley M. ^[2]; MacDonald, Allan H. ^[3];

^[4]

National University of Singapore, Department of Physics, Graphene Research Centre, 2 Science Drive 3, Singapore, 117551, Singapore
The University of Texas at Austin, Department of Physics, 2515 Speedway, C1600 Austin, Austin, 78712-1192, Texas (United States)
• The University of Texas at Austin, Department of Physics, 2515 Speedway, C1600 Austin, Austin, 78712-1192, Texas (United States)
Department of Physics, Graphene Research Centre, National University of Singapore, 2 Science Drive 3, Singapore, 117551, Singapore; Yale-NUS College, 6 College Avenue East, Singapore, 138614, Singapore

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.

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Research Organization:: Univ. of Pennsylvania, Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Research Foundation of Singapore; Welch Foundation

Grant/Contract Number:: FG02-84ER45118; NRF-NRFF2012-01; TBF1473

OSTI ID:: 1623965

Journal Information:: Nature Communications, Vol. 6, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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