Tuning magnetism and transport property of planar and wrinkled FePP@GNR hybrid materials

A series of one-dimensional (1D) nano-structures FePP@GNR, formed by embedding Fe-porphyrins (FePPs) into graphene nanoribbons (GNRs) in which planar FePP@GNR nanostructures as well as their wrinkled counterparts, has been designed and investigated based on the combination of density functional theory (DFT) and non-equilibrium Green's function methods. It is found that the magnetic, electronic, and transport properties of FePP@GNR materials can be tuned by the FePP position, the FePP concentration, and the compressive strain. A polarization/non-polarization switch and a metal/semiconductor transition are found in these systems. In addition, evident negative differential resistance behavior is observed for some species. All these results reveal potential applications of FePP@GNR hybrid materials in electromagnetic devices. (c) 2020 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).