Electronic and Optical Properties of SnGe and SnC Nanoribbons: A First-Principles Study

Abstract

Structural, electronic, and optical properties of one-dimensional (1D) SnGeand SnC with two types (armchair and zigzag) and different widths are studied by usingfirst-principles calculations. The atoms of these structures in edges are passivated byhydrogen. The results show armchair SnGe and SnC nanoribbons (A-SnXNRs, X=Ge, C)are the direct semiconducting and divided into three distinct families W=3p, W=3p+1,and W=3p+2, (p is a positive integer). By increasing width, the band gaps converge to1.71 eV and 0.15 eV for A-SnCNRs and A-SnGeNRs, respectively. Furthermore, theposition of the first peak of the dielectric function in both of them occurs in their value ofdirect band gap at أ point. also, the absorption coefficient for 9, 11, 13 A-SnCNRsdisplays that there is no absorption at the lower energy range from 0 to 1.2 eV, whereasabsorption characteristics for 9, 11, and 13 A-SnGeNRs appeared at near-infrared to thevisible spectrum. These results can provide important information for the use of GroupIV binary compounds in electronic devices.

Keywords

• snc and snge nanoribbon
• electronic properties
• dielectric function
• first-principles study