title: Structural and electronic properties of zigzag InP nanoribbons with Stone-Wales type defects.
abstract: By means of density-functional-theoretic calculations, we investigate the structural and electronic properties of a hexagonal InP sheet and of hydrogen-passivated zigzag InP nanoribbons (ZInPNRs) with Stone-Wales (SW)-type defects. Our results show that the influence of this kind of defect is not limited to the defected region but it leads to the formation of ripples that extend across the systems, in keeping with the results obtained recently for graphene and silicene sheets. The presence of SW defects in ZInPNRs causes an appreciable broadening of the band gap and transforms the indirect-bandgap perfect ZInPNR into a direct-bandgap semiconductor. An external transverse electric field, regardless of its direction, reduces the gap in both the perfect and defective ZInPNRs.
authors.affiliation: Departamento de Física de la Materia Condensada, Facultad de Física, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela, Spain. Materials Science & Engineering Department, The University of Texas at Dallas, Richardson, TX 75080, USA.
authors.forename: R C
authors.initials: RC
authors.lastname: Longo
authors.forename: J
authors.initials: J
authors.lastname: Carrete
authors.forename: L M
authors.initials: LM
authors.lastname: Varela
authors.forename: L J
authors.initials: LJ
authors.lastname: Gallego