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Letter
Research Support, Non-U.S. Gov't
Quantum Transport in Gated Dangling-Bond Atomic Wires.
Nano Letters 2017 January 12
A single line of dangling bonds (DBs) on Si(100)-2 × 1:H surface forms a perfect metallic atomic-wire. In this work, we investigate quantum transport properties of such dangling bond wires (DBWs) by a state-of-the-art first-principles technique. It is found that the conductance of the DBW can be gated by electrostatic potential and orbital overlap due to only a single DB center (DBC) within a distance of ∼16 Å from the DBW. The gating effect is more pronounced for two DBCs and especially, when these two DB "gates" are within ∼3.9 Å from each other. These effective length scales are in excellent agreement with those measured in scanning tunnelling microscope experiments. By analyzing transmission spectrum and density of states of DBC-DBW systems, with or without subsurface doping, for different length of the DBW, distance between DBCs and the DBW, and distance between DB gates, we conclude that charge transport in a DBW can be regulated to have both an on-state and an off-state using only one or two DBs.
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