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Authors: Xinfeng Li 1 ; Kai Zhang 1 ; Shanling Ren 2 ; Yunhui Wang 2 and Zhihong Yang 2

Affiliations: 1 College of Electronic Science and Optical Engineering, Nanjing University of Posts and Telecommunications, Nanjing and China, China ; 2 Faculty of Science, Nanjing University of Posts and Telecommunications, Nanjing and China, China

Keyword(s): two-dimensional material, black phosphorene nanoribbon, magnetic, first-principles calculation

Abstract: Using first-principles based on density functional theory within the GGA+U framework, we investigated the structural states, energy, and magnetic properties of edge hydrogenated Zigzag black Phosphorene Nanoribbon (H-ZPNR) with P atom substituted by Fe atom in different site. Undoped Edge hydrogenated ZPNR has no magnetic moment, however our results show that the magnetic moment of doped systems varied from 1μB to 4μB, and the coupling between the Fe atom and adjacent P atoms is either ferromagnetic or anti-ferromagnetic.

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Paper citation in several formats:
Li, X.; Zhang, K.; Ren, S.; Wang, Y. and Yang, Z. (2019). Magnetic Properties of Edge Hydrogenated Zigzag Black Phosphorene Nanoribbon by Fe Doping. In The Second International Conference on Materials Chemistry and Environmental Protection - MEEP; ISBN 978-989-758-360-5, SciTePress, pages 228-231. DOI: 10.5220/0008188002280231

@conference{meep19,
author={Xinfeng Li. and Kai Zhang. and Shanling Ren. and Yunhui Wang. and Zhihong Yang.},
title={Magnetic Properties of Edge Hydrogenated Zigzag Black Phosphorene Nanoribbon by Fe Doping},
booktitle={The Second International Conference on Materials Chemistry and Environmental Protection - MEEP},
year={2019},
pages={228-231},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0008188002280231},
isbn={978-989-758-360-5},
}

TY - CONF

JO - The Second International Conference on Materials Chemistry and Environmental Protection - MEEP
TI - Magnetic Properties of Edge Hydrogenated Zigzag Black Phosphorene Nanoribbon by Fe Doping
SN - 978-989-758-360-5
AU - Li, X.
AU - Zhang, K.
AU - Ren, S.
AU - Wang, Y.
AU - Yang, Z.
PY - 2019
SP - 228
EP - 231
DO - 10.5220/0008188002280231
PB - SciTePress

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