Energy gaps and stark effect in boron nitride nanoribbons

Abstract

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. © 2008 American Chemical Society.