2005/04/04 by Bikash C. Gupta, Bikash C Gupta, Inder P. Batra
Engineering · Materials Science · Physics and Astronomy · #Graphene research and applications #Molecular Junctions and Nanostructures #Surface and Thin Film Phenomena #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.71.165429
Six pages including 10 figues (To appear in PRB, 2005)
arxiv created 2005/04/04 · openalex publication_date 2005/04/26 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Electronic structure calculations are performed for atomic wires of metals like Al, Ga, and In placed on a patterned dihydrogenated Si(001):1\ifmmode×\else\texttimes\fi1 in search of structures with metallic behavior. The dihydrogenated Si(001) is patterned by depassivating hygrozen atoms only from one row of Si atoms along the [110] direction. Various structures of adsorbed metals and their electronic properties are examined. It is found that Al and Ga atomic wires with metallic property are strongly unstable towards the formation of buckled metal dimers leading to semiconducting behavior. Indium atomic wire, however, displays only marginal preference towards the formation of symmetric dimers staying close to the metallic limit. The reasons behind the lack of metallic atomic wires are explored. In addition, a direction is proposed for the realization of metallic wires on the dihydrogenated Si(001).