First-principles prediction of a room-temperature ferromagnetic and ferroelastic 2D multiferroic MnNX (X = F, Cl, Br, and I)
| Autor: | Chao Liu, Wei Ren, Minglang Hu, Guodong Zhao, Jiahui Yu, Shaowen Xu |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Ferroelasticity
Materials science Ferromagnetic material properties Condensed matter physics Monte Carlo method 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Condensed Matter::Materials Science Magnetic anisotropy Ferromagnetism Nanoelectronics 0103 physical sciences Monolayer General Materials Science Multiferroics 010306 general physics 0210 nano-technology |
| Zdroj: | Nanoscale. 12(47) |
| ISSN: | 2040-3372 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|