Metallization induced by nitrogen atom adsorption on silicon nanofilms and nanowires

摘要

First-principles calculations on the electronic properties of silicon nanofilms and nanowires that were adsorbed with nitrogen atoms on (110) facets revealed the formation of N-Si-N-Si chains, which causes the conduction and valence bands to intersect and metallizes the system. The interaction between the nitrogen and silicon atoms on the surface was found to induce energy bands near the Fermi level. The metallic electronic states induced by surface adsorption could be expected to significantly improve the conducting properties of the Si nanostructures due to their large surface-to-volume ratio and thus has great implications for SiNWs in nanoelectronic applications.

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