Abstract
Design of stable Si-cage and Si-tube structures is of greatimportance to the fields of Si nanotechnology andmicroelectronics. In order to explore the possibility ofconstructing a Si nanotube by using the metal-stabilized andtube-shaped Si cluster W@Si12 as the basic unit, detailedfirst-principles calculations are performed to analyse theinteractions of the dimers. It is found that the interactionsare orientation dependent, and no interactions exist if stackingis along the sixfold axis. However, the W atom can be used as thespacer to link two units, resulting in a metastable structure.Due to the large surface stress in such a small one-dimensional system,sixfold stacking cannot be extended, and thus the trimer is not dynamically stable. Further, the most stable geometry for thedimer is seriously distorted. Consequently, it is difficult toconstruct a Si nanotube using this W@Si12 tube-shapedunit.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
