Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/8175
Title: Band-gap engineering, magnetic behavior and Dirac-semimetal character in the MoSi2N4 nanoribbon with armchair and zigzag edges
Authors: Bafekry, A.
Faraji, M.
Stampfl, C.
Sarsari, I. Abdolhosseini
Ziabari, A. Abdollahzadeh
Hieu, N. N.
Karbasizadeh, S.
Keywords: MoSi2N4 ribbon
Dirac-semimetal
anisotropy
Initio Molecular-Dynamics
Graphene
Semiconductor
Phosphorene
State
Issue Date: 2022
Publisher: Iop Publishing Ltd
Abstract: Motivated by the recent successful formation of the MoSi2N4 monolayer (Hong et al 2020 Science 369, 670), the structural, electronic, and magnetic properties of MoSi2N4 nanoribbons (NRs) is investigated for the first time. The band structure calculations showed spin-polarization in zigzag edges and a non-magnetic semiconducting character in armchair edges. For armchair-edges, we identify an indirect to direct bandgap shift compared to the MoSi2N4 monolayer, and its energy gap increases with increasing NR width. Anisotropic electrical and magnetic behaviors are observed via band structure calculations at the zigzag and armchair edges, where, surprisingly, for one type of zigzag-edge configuration, we identifed a Dirac-semimetal character. The appearance of magnetism and Dirac-semimetal in MoSi2N4 ribbons can give rise to novel physical properties, which could be helpful in applications for next-generation electronic devices.
URI: https://doi.org/10.1088/1361-6463/ac2cab
https://hdl.handle.net/20.500.11851/8175
ISSN: 0022-3727
1361-6463
Appears in Collections:Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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