Structural stability, electronic properties, and quantum conductivity of small-diameter silicon nanowires
نویسندگان
چکیده
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.
منابع مشابه
Structure, stability, and quantum conductivity of small diameter silicon nanowires.
Structures and energetics of various types of silicon nanowires have been investigated using both quantum and classical molecular dynamics simulations to determine the most stable forms. The tetrahedral type nanowires have been found to be the most stable and, surprisingly, the polycrystalline forms of nanowires, while having the smallest surface to bulk ratio, are found to be the least stable....
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