Imposing dimensional restrictions on graphene sheets and adding impurities can give rise to carbon nanostructures with magnetic properties. In this work, zigzag graphene nanoribbons, zGNRs, with nitrogen and fluorine adatoms are investigated for magnetic properties of interest for spin devices. Geometry optimizations were done determining which position along a zGNR electrode that N and F would favorably attach to. Edge positions were determined as the most stable attachment site. M-cell zGNR electrodes (M = 1-3) edge-functionalized by N and F adatoms were investigated with respect to their band structures and spin densities in antiferromagnetic and ferromagnetic, AFM and FM, configurations. Focus was placed on band structures showing spin gaps, indicating potential for magnetoresistive devices. Devices were modeled for 2-cell and 3-cell electrodes with nitrogen adatoms, and the respective transmission spectra were compared. Attaching N adatoms to zGNRs turned out to be a mode of controlled manipulation of their spin configurations. Spin gaps were identified in units based on 3-cell-zGNR electrodes.
| Identifer | oai:union.ndltd.org:ETSU/oai:dc.etsu.edu:etd-5919 |
| Date | 01 May 2024 |
| Creators | Petit, Justin |
| Publisher | Digital Commons @ East Tennessee State University |
| Source Sets | East Tennessee State University |
| Language | English |
| Detected Language | English |
| Type | text |
| Format | application/pdf |
| Source | Electronic Theses and Dissertations |
| Rights | Copyright by the authors. |
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