Abstract
The paper presents the results of studies of structural, electronic and magnetic properties of amrchair silicene nanoribbons (ASiNR) atomic systems adsorbing alkaline atoms (ASiNR-Li, ASiNR-Na, ASiNR-K). The results are calculated based on density function theory (DFT) and through a VASP simulation package. Some basic characteristics have been investigated such as: optimal adsorption position, electron band structures, density of states, charge density distribution, charge density difference, and spin density distribution. The results show that the hollow adsorption site is optimal. After adsorption, the system structure has changes in bond edge length and buckling. Adsorption systems do not exist band gap, exhibiting typical metallic properties. Alkaline adsorption leads to a redistribution of charge density; causes a strong charge shift compared to the pristine system, and also leads to a change in the magnetic moment of the structure.
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