Abstract
Abstract To discern the anisotropy of silicon nanowires (SiNWs) grown in different directions, the binding energy, heat of formation, and Young’s modulus of hydrogen-passivated SiNWs with various diameters and crystallographic orientations were calculated using all-electron density functional theory. In the size range studied, nanowires grown in the [1 1 0] direction are most stable while those in the [1 0 0] direction are energetically least favorable. Similar trend was observed in the computed Young’s modulus. With the same radius, the nanowire along the [1 1 0] direction possesses the highest Young’s modulus, while the [1 0 0] wire has the lowest value.
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