The optoelectronic properties of As-doped 1D germanene for potential applications

The advancement of science and technology is essential for the progress of nanotechnology, which plays a pivotal role in the development of miniaturized and energy-efficient devices. This investigation delves into the As-doped structures within one-dimensional germanene nanoribbons. Utilizing Density Functional Theory (DFT) in conjunction with the Vienna Ab initio Simulation Package (VASP), the study explores the electro-optical properties of the material influenced by As doping, examining both the doping position and density’s effects. Results indicate As significantly alters the electro-optical characteristics, with the semiconductor structure transitioning to metals in top and valley configurations, while meta and para configurations retain semiconductor properties with an indirect band gap. Analysis of bond length, bond angle, magnetism, formation energy and charge density difference elucidates As’ impact on hexagonal structure stability and electromagnetism properties of the system. Furthermore, a comprehensive investigation of optical properties not only offers insights into material systems but also highlights potential applications in optical communications and sensing technologies.