Abstract
We model the atomistic restructuring of different types of carbon nanoribbons as they are irradiated and subjected to uniaxial stress. Time scales relevant to realistic experimental conditions are achieved with an original Monte-Carlo algorithm that enacts rare events in a stochastic manner using the structure adjacency information. We use a Hubbard model Hamiltonian to analyze the appearance of magnetic domains emerging from the concerted rearrangement of armchair edged sections into zigzag configurations. The self-consistent Hamiltonian is also used to compute electronic transport properties to establish the presence of spin-polarized current flowing across the initially non-magnetic nanoribbons.
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.
