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We present an ab initio exploration of the phenomena which will becomeimportant for freestanding structures of silicon as they are realized on thenanoscale. We find that not only surface but also edge effects are importantconsiderations in structures of dimensions on the order of 3 nm. Specifically,for long nanoscale silicon bars, we find two competing low-energyreconstructions with a transition from one to the other as the cross section ofthe bar decreases. We predict that this size-dependent phase transition has asignature in the electronic structure of the bar but little effect on elasticproperties

Edge-driven transition in the surface structure of nanoscale silicon