Abstract
Structures and energetics of various types of silicon nanowires have been investigated using quantum molecular dynamics simulations to determine the most stable forms. The tetrahedral type nanowires oriented in the ⟨111⟩ direction are found to be the most stable. The stability of the cagelike nanowires is determined to lie somewhere between this and tetrahedral nanowires oriented in other directions. Furthermore, their electrical conducting properties are found to be better than those of tetrahedral nanowires, suggesting useful molecular electronic applications.
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