Structural and electronic properties of BN Möbius stripes

Abstract

In the present contribution it is applied first-principles calculations to investigate the electronic structure of boron nitride Mobius stripes, with armchair and zigzag configurations, obtained from boron nitride nanoribbons using a “cut” and “glue” process. The results show that the structural stability strongly depends on the length and width of the stripe. It is also found that the energy gap and work function depends on the structure chirality. Due to the formation of an antiphase boundary, zigzag stripes present tunable electronic properties, with significant potential for technological applications.