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Electromagnetic and optical properties of Na, Mg, and Al-adsorbed stanene nanoribbons: potential applications
Nguyen Thanh Tung1,2, Tran Cong Phong3,2, Hoang Van Ngoc4
1Institute for Advanced Study in Technology, Ton Duc Thang University, Ho Chi Minh City, Vietnam.
Abstract:
Density functional theory (DFT) combined with the Viennaab initiosimulation package (VASP) was used to investigate the electronic, magnetic, and optical properties of one-dimensional stanene nanoribbons (SnNRs) and Na, Mg, and Al-adsorbed SnNRs. The SnNRs, with a width of 10 Sn atoms and hydrogen-passivated edges, retained their hexagonal honeycomb structure after structural optimization. Both pristine and adsorbed SnNRs exhibit narrow band gap semiconducting behavior, with pristine SnNRs being non-magnetic and adsorbed SnNRs showing non-zero magnetic moments. Partial density of states analysis revealed multi-orbital hybridization contributing to the formation ofπandσbonds. Optical property analysis highlighted distinct differences between pristine and adsorbed systems, including optical anisotropy and wavelength-dependent absorption. These results indicate the potential of SnNRs for applications in optical information technology, sensors and photocatalysis.
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