Magnetic Properties of Edge Hydrogenated Zigzag Black Phosphorene Nanoribbon by Fe Doping

Xinfeng Li, Kai Zhang, Shanling Ren, Yunhui Wang, Zhihong Yang

2018

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.

Paper Citation

in Harvard Style

Li X., Zhang K., Ren S., Wang Y. and Yang Z. (2018). 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, pages 228-231. DOI: 10.5220/0008188002280231

in Bibtex Style

@conference{meep18,
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={2018},
pages={228-231},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0008188002280231},
isbn={978-989-758-360-5},
}

in EndNote Style

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 - 2018
SP - 228
EP - 231
DO - 10.5220/0008188002280231