Structural and electronic properties of BN Möbius stripes
1 Departamento de Física, CCEN, Universidade Federal da Paraíba, Caixa Postal 5008, 58051-900 João Pessoa, PB, Brazil
2 Instituto Federal da Bahia, Campus Vitória da Conquista, av. Amazonas 3150, 45030-220 Vitória da conquista, BA, Brazil
Received: 22 February 2012
Published online: 28 May 2012
In the present contribution it is applied first-principles calculations to investigate the electronic structure of boron nitride Möbius 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.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2012