Hexagon versus trimer formation in in nanowires on Si(111): energetics and quantum conductance

Hexagon versus trimer formation in in nanowires on Si(111): energetics and quantum conductance

The structural and electronic properties of the quasi-one-dimensional In/Si(111) surface system are calculated from first principles. It is found that the symmetry lowering of the In chains is energetically favorable, provided neighboring nanowires are correlated, giving rise to a doubling of the su...

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Veröffentlicht in:Physical review letters 2007-01, Vol.98 (2), p.026105-026105, Article 026105
Hauptverfasser: Stekolnikov, A A, Seino, K, Bechstedt, F, Wippermann, S, Schmidt, W G, Calzolari, A, Nardelli, M Buongiorno
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container_title Physical review letters
container_volume 98
creator Stekolnikov, A A
Seino, K
Bechstedt, F
Wippermann, S
Schmidt, W G
Calzolari, A
Nardelli, M Buongiorno
description The structural and electronic properties of the quasi-one-dimensional In/Si(111) surface system are calculated from first principles. It is found that the symmetry lowering of the In chains is energetically favorable, provided neighboring nanowires are correlated, giving rise to a doubling of the surface unit cell both along and perpendicular to the chain direction. The recently suggested formation of hexagons within the In nanowires [C. González, F. Flores, and J. Ortega, Phys. Rev. Lett. 96, 136101 (2006)]--in clear contrast to the trimer formation proposed earlier-drastically modifies the electron transport along the In chains, in agreement with experiment.
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title Hexagon versus trimer formation in in nanowires on Si(111): energetics and quantum conductance
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