Strain controlled electronic and transport properties of Si-C atomic wire
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Date
2019
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American Institute of Physics
Abstract
An ab-initio Density functional calculations and Non-equilibrium approach have been used to study the effect of positive strain on the equilibrium geometry, electronic structure and transmission function of Si-C bi atomic wire. In the absence of strain, Si-C bi-atomic wire is found to be semi conducting. The equilibrium electronic structure of these nanowires is shown to change drastically on applying strain. The Si-C bi-atomic wire has wide zigzag (WZ) structure GM and has a direct band gap of 0.7eV and remains direct on applying small strain up to ϵ ∼3.1%. At the strain value of ϵ ∼3.1% the band gap widen up to 1.77eV, and becomes indirect on further increasing the strain values. We observed that at the lower bias the conductance does depend on the strain applied on the wire. From density of states we have found that the strain value of ϵ ∼3.1% offers maximum band gap value up to the ∼1.55eV bias applied. At equilibrium state the transmission through Si bands is observed slightly more, and indicates the holes tunneling through device. Application of strain provides channels for electrons tunneling. © 2019 Author(s).
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Thakur, R., Kumar, A., Ahluwalia, P.K. and Sharma, R.Strain controlled electronic and transport properties of Si-C atomic wire.2115.10.1063/1.5113213