Issue 47, 2020

First-principles prediction of a room-temperature ferromagnetic and ferroelastic 2D multiferroic MnNX (X = F, Cl, Br, and I)

Abstract

Two-dimensional (2D) multiferroic materials have great potential applications in multifunctional nanoelectronics devices. Here, we construct a series of stable and isolated monolayers as 2D manganese nitrohalides MnNX (X = F, Cl, Br, and I) and systematically investigate the structural, electronic and magnetic properties using first-principles and Monte Carlo simulations. We find that ground states simultaneously show in-plane ferroelasticity and room-temperature ferromagnetic properties. We also reveal that the in-plane magnetic anisotropy can be tunable by the uniaxial ferroelastic strain. Our results will provide significant implications for future experiments and the design of new functional materials at the nanoscale.

Graphical abstract: First-principles prediction of a room-temperature ferromagnetic and ferroelastic 2D multiferroic MnNX (X = F, Cl, Br, and I)

Supplementary files

Article information

Article type
Paper
Submitted
30 Aug 2020
Accepted
06 Nov 2020
First published
07 Nov 2020

Nanoscale, 2020,12, 24237-24243

First-principles prediction of a room-temperature ferromagnetic and ferroelastic 2D multiferroic MnNX (X = F, Cl, Br, and I)

M. Hu, S. Xu, C. Liu, G. Zhao, J. Yu and W. Ren, Nanoscale, 2020, 12, 24237 DOI: 10.1039/D0NR06268E

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