@misc{10481/85838,
year = {2022},
month = {9},
url = {https://hdl.handle.net/10481/85838},
abstract = {The development of quantum information and quantum computing technology requires special materials to design and manufacture nanosized spintronic devices. Possessing remarkable structural, electronic, and magnetic characteristics, graphitic carbon nitride (g-C3N4) can be a promising candidate as a building block of futuristic nanoelectronics and spintronic systems. Here, using first-principles calculations, we perform a comprehensive study on the structural stability as well as electronic and magnetic properties of triazine-based g-C3N4 nanoribbons (gt-CNRs). Our calculations show that gt-CNRs with different edge conformation exhibit distinct electronic and magnetic characteristics, which can be tuned by the edge H-passivation rate. By investigating gt-CNRs with various possible edge configurations and H-termination rates, we show that while the ferromagnetic (FM) ordering of gt-CNRs stays preserved for all of the studied configurations, half metallicity can only be achieved in nanoribbons with specific edge structure under full H-passivation rate. For spintronic application purposes, we also study spin-transport properties of half-metal gt-CNRs. By determining the suitable gt-CNR configuration, we show the possibility of developing a perfect gt-CNR-based spin filter with a spin filter efficiency (SFE) of 100%. Considering the above-mentioned notable electronic and magnetic characteristics as well as its high thermal stability, we show that gt-CNR would be a remarkable material to fabricate multifunctional spintronic devices.},
organization = {European Union’s Horizon 2020 research and innovation
program under the Marie Skłodowska-Curie grant agreement
No. 841673.},
organization = {Funding for open access charge: Universidad de
Granada/CBUA},
publisher = {American Chemical Society},
title = {Structural, Electronic, and Magnetic Characteristics of Graphitic Carbon Nitride Nanoribbons and Their Applications in Spintronics},
doi = {10.1021/acs.jpcc.2c04691},
author = {Reza Rezapour, M.},
}