INVESTIGATING GOLD DOPED-CONFIGURATIONS IN 1D SILICENE MONOLAYER

By Hoang Van Ngoc
DOI: 10.37550/tdmu.EJS/2025.01.609

This study investigates the structural and electronic properties of Au-doped silicene nanoribbons (SiNRs) under the influence of an external electric field of 0.4 eV/Å, utilizing density functional theory (DFT). The stability and structural integrity of SiNRs following Au doping are assessed, considering two distinct doping configurations: the top configuration and the valley configuration, where each unit cell incorporates a single Au atom. The formation energies of the doped systems are calculated to evaluate their thermodynamic stability based on DFT principles. Furthermore, detailed analyses of the density of states (DOS) and energy band structures are conducted. Both doping configurations exhibit metallic characteristics, indicating potential applicability in future nanoelectronic devices.