Investigation of Be, Mg, Ti–adsorbed boron-germanene nanoribbons for nano applications

One-dimensional systems are nanostructures of significant interest in research due to their numerous potential applications. This study focuses on the investigation of one-dimensional boron-germanene nanoribbons (BGeNRs) and BGeNRs doped with Be, Mg, and Ti. Density functional theory combined with the Vienna Ab initio Simulation Package forms the foundation of this research. The electromagnetic and optical properties of these structures are systematically examined. The findings reveal that all the studied structures exhibit metallic behaviour, with differences in their magnetic properties. The magnetic moments of the pristine and Be-doped structures are both zero, whereas the Mg and Ti-doped structures exhibit magnetic moments of 0.012<i>μ</i>_Band 2.234<i>μ</i>_B, respectively. Partial density of states (PDOS) analyses highlight the contributions of various elements and the complex multi-orbital hybridization among them. The optical properties are investigated through the real and imaginary parts of the dielectric function, along with the absorption coefficient and electron-hole density. This study indicates potential applications in adsorption sensors, the modulation of system magnetism via adsorption, and information transmission technologies.