Electronic Properties of Strained Si/Ge Core-Shell Nanowires

Details Electronic Properties of Strained Si/Ge Core-Shell Nanowires Electronic Properties of Strained Si/Ge Core-Shell Nanowires

2010-10-07

arxiv.org/abs/1010.1555v1

Applied Physics Letters 96, 143119 (2010)

Physics

Computational Physics

4 figures

Scientific paper

We investigated the electronic properties of strained Si/Ge core-shell nanowires along the [110] direction using first principles calculations based on density-functional theory. The diameter of the studied core-shell wire is up to 5 nm. We found the band gap of the core-shell wire is smaller than that of both pure Si and Ge wires with the same diameter. This reduced band gap is ascribed to the intrinsic strain between Ge and Si layers, which partially counters the quantum confinement effect. The external strain is further applied to the nanowires for tuning the band structure and band gap. By applying sufficient tensile strain, we found the band gap of Si-core/Ge-shell nanowire with diameter larger than ~3 nm experiences a transition from direct to indirect gap.

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