科研之友
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摘要
Gallium Arsenide nanowires of four different structures have been studied by ab-initio method using the generalized gradient approximations. The different structures were two atom linear wire, two atom zigzag wire, four atom square wire and six atom hexagonal wire. The geometry optimization and the stability of all nanowires were investigated. We determine the minimum energy atomic configuration of each of the considered structures. We predict that four atom square wire cross section have greater stability in comparison to other structures. We have also investigated the density of states and band structure of optimized nanowires.
- 出版日期2009-7
