Issue 2, 2022

FeSi2: a two-dimensional ferromagnet containing planar hexacoordinate Fe atoms

Abstract

As an unconventional bonding pattern different from conventional chemistry, the concept of planar hypercoordinate atoms was first proposed in the molecular system, and it has been recently extended to 2D periodic systems. Using first-principles calculations, herein we predict a stable FeSi2 monolayer with planar hexacoordinate Fe atoms. Due to its abundant multicenter bonds, the FeSi2 monolayer shows excellent thermal and kinetic stability, anisotropic mechanical properties and room-temperature ferromagnetism (TC ∼360 K). Furthermore, we have demonstrated the feasibility of directly growing an FeSi2 monolayer on a Si (110) substrate while maintaining the novel electronic and magnetic properties of the freestanding monolayer. The FeSi2 monolayer synthesized in this way would be compatible with the mature silicon semiconductor technology and could be utilized for spintronic devices.

Graphical abstract: FeSi2: a two-dimensional ferromagnet containing planar hexacoordinate Fe atoms

Supplementary files

Article information

Article type
Paper
Submitted
25 10 2021
Accepted
12 12 2021
First published
13 12 2021
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2022,4, 600-607

FeSi2: a two-dimensional ferromagnet containing planar hexacoordinate Fe atoms

Y. Zhao, Q. Liu, J. Xing, X. Jiang and J. Zhao, Nanoscale Adv., 2022, 4, 600 DOI: 10.1039/D1NA00772F

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