2008/07/02 by Cheol-Hwan Park, Steven G. Louie
Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Graphene research and applications #Thermal properties of materials #cond-mat.mtrl-sci
paper · pdf · doi:10.1021/nl080695i
published as Nano Lett., 8, 2200-2203 (2008) · 5 pages, 5 figures
openalex publication_date 2008/07/02 · arxiv created 2008/08/13 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
A first-principles investigation of the electronic properties of boron nitride nanoribbons (BNNRs) having either armchair or zigzag shaped edges passivated by hydrogen with widths up to 10 nm is presented. Band gaps of armchair BNNRs exhibit family dependent oscillations as the width increases and, for ribbons wider than 3 nm, converge to a constant value that is 0.02 eV smaller than the bulk band gap of a boron nitride sheet owing to the existence of very weak edge states. The band gap of zigzag BNNRs monotonically decreases and converges to a gap that is 0.7 eV smaller than the bulk gap due to the presence of strong edge states. When a transverse electric field is applied, the band gaps of armchair BNNRs decrease monotonically with the field strength. For the zigzag BNNRs, however, the band gaps and the carrier effective masses either increase or decrease depending on the direction and the strength of the field.