Relative Stability and Morphology of Si Nanowires [Invited]
The morphology and relative stability of silicon nanowires oriented along <001>-, <011>-, <111>-, and <112>- direction have been studied using density functional theory- and semiempirical Hamiltonianbased molycular dynamics (MD) schemes. The diameter of the nanowires considered ranges from 2 to 15 nm. We find that Wulff construction is applicable for the determination of the shape of the nanowire. In addition, facets as well as edges between facets on the surface are crucial factors in optimizing the shape of the nanowire. Our finding indicates that, for diameters in the range of <10 nm, silicon nanwires oriented along<011>-direction display the lowest total energy, consistent with recent experimental observations.
A. V. Chernatynskiy et al., "Relative Stability and Morphology of Si Nanowires [Invited]," Proceedings of the AIChE Annual Meeting and Fall Showcase (2005, Cincinnati, OH), American Institute of Chemical Engineers (AIChE), Oct 2005.
AIChE Annual Meeting and Fall Showcase (2005: Oct. 30-Nov. 4, Cincinnati, OH)
Keywords and Phrases
Hamiltonians; Molecular dynamics; Morphology; Silicon; Stability; Nanowires; Relative stability; Wulff construction; Nanostructured materials
Article - Conference proceedings
© 2005 American Institute of Chemical Engineers (AIChE), All rights reserved.