Width- and edge-dependent magnetic properties, electronic structures, and stability of SnSe2 nanoribbons

• Published in: Physica. E, Low-dimensional systems & nanostructures Vol. 59; pp. 102 - 106
• Main Authors: Huang, Yucheng, Ling, Chongyi, Fang, Zhen, Wang, Sufan
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.05.2014; Elsevier
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Electron states; Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems; Electronic structure; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals; Exact sciences and technology; First-principle; Graphene-like; Magnetic properties and materials; Magnetic properties of nanostructures; Magnetic property; Methods of electronic structure calculations; Physics; Magnetic property; Electronic structure; First-principle; Graphene-like; Electronic properties; Semiconductor materials; Structure stability; Nanotape; Energy gap; Graphene; Binding energy; Density functional method; Magnetic structure; Magnetic properties
• ISSN: 1386-9477; 1873-1759
• DOI: 10.1016/j.physe.2014.01.003

First-principles calculations were employed to investigate the magnetic, electronic properties as well as the stability of SnSe2 nanoribbons with zigzag and armchair terminated edges. The results showed that all of the nanoribbons studied are nonmagnetic semiconductors, irrespective of the ribbons width and the shape of the edge. Among these, the zigzag nanoribbons (ZNRs) have direct band gaps and the band gap oscillations depend on the width, while the armchair nanoribbons (ANRs) have indirect band gaps and the band gap converges to a constant value of 0.46eV as the ribbon width increases. The stabilities of these nanoribbons were evaluated. It was found that the binding energies of ZNRs and ANRs increase monotonically with the increase of ribbon widths. With the comparable widths, ZNR is more stable than ANR. All the studied SnSe2 zigzag/armchair nanoribbons are nonmagnetic direct/indirect semiconductors, irrespectively of their widths and edge shapes. [Display omitted] •The electronic and magnetic properties as well as the stabilities of 1D zigzag and armchair SnSe2 nanoribbons were investigated.•All the studied SnSe2 zigzag/armchair nanoribbons were proved to be nonmagnetic direct/indirect semiconductors, irrespective of the width and edge shape.•The contribution of edge atoms to the states near the Fermi level in SnSe2 nanoribbons is limited, leading to insensitive nature of edge and monotonous electronic and magnetic properties.