A theoretical study of Fe adsorption along Bi-nanolines on the H/Si(001) surface

Miwa, R. H.; Orellana, Walter; Srivastava, G. P.

doi:10.1016/j.apsusc.2007.07.091

Cited by 3 publications

(1 citation statement)

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“…Given deposition at low fluxes and temperatures (below 400 K), Mn atoms deposited on the surface were observed to form into nanolines 12-15 units in length, perpendicular to the silicon dimer rows [7,9]. Nanolines such as these have the potential to act as nanoscale signal transmission systems [10], if structures which both assemble easily and possess the desired electronic properties can be found [11]. Thus far, many systems have been found to possess one or the other [12] but never both to a sufficient degree.…”

Section: Introductionmentioning

confidence: 99%

A density functional theory study of Mn nanowires on the Si(001) surface

Sena

Bowler

2011

J. Phys.: Condens. Matter

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The structure of experimentally observed Mn nanolines on the Si(001) surface is investigated using density functional theory (DFT) and the DFT + U method. A candidate line structure consisting of a two-atom sub-unit is proposed, based on total energy and appearance in simulated scanning tunnelling microscopy images. The electronic and magnetic properties of this structure are investigated. The atoms in the line are strongly antiferromagnetically coupled with individual Mn atoms having moments of 4 µ(B). The atoms in the sub-unit are seen to move further apart by 0.57 Å upon forcing ferromagnetic alignment.

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