Two-Dimensional Iron Silicide (FeSi) Alloys with Above-Room-Temperature Ferromagnetism.

Nano Lett

CAS Key Laboratory for Materials for Energy Conversion, School of Chemistry and Materials Science, CAS Center for Excellence in Nanoscience and Synergetic Innovation of Quantum Information & Quantum Technology, University of Science and Technology of China, Hefei, Anhui 230026, China.

Published: March 2023

Two-dimensional (2D) materials with intrinsic room-temperature ferromagnetism have gathered tremendous interest as promising candidates for next-generation spintronics. Here, on the basis of first-principles calculations, we report a family of stable 2D iron silicide (FeSi) alloys via dimensional reduction of their bulk counterparts. Our results demonstrate that 2D FeSi-hex, FeSi-orth, FeSi, and FeSi nanosheets are lattice-dynamically and thermally stable, confirmed by the calculated phonon spectra and Born-Oppenheimer dynamic simulation up to 1000 K. 2D FeSi nanosheets are ferromagnetic metals with estimated Curie temperatures ranging from 547 to 971 K due to strong direct exchange interaction between Fe sites. In addition, the electronic properties of 2D FeSi alloys can be maintained on silicon substrates, providing an ideal platform for spintronics applications in the nanoscale.

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http://dx.doi.org/10.1021/acs.nanolett.3c00113DOI Listing

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