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Using first-principle calculations with density functional theory, we investigated the modification of electronic properties in zinc-blende (ZB) and wurtzite (WZ) InSb nanowires (NWs) grown along the [111] and [0001] directions for different size, different surface coverage and different mechanical strain. The results show that before the surface passivation, ZBNWs and WZNWs exhibit the metallic character...
Using first-principles calculations, we investigate the effect of surface passivation on the impurity distribution and magnetic properties in Mn-doped GaAs nanowires. A comparative analysis for the zinc-blend and wurtzite structures is made. Our results show that when the Mn-doped position shifts from the center to the edge, the Mn formational energy is reduced in the bare nanowire, while this behavior...
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