A strain induced polar metal phase in a ferromagnetic FeGeTe monolayer.

Phys Chem Chem Phys

School of Chemistry and Physics, Queensland University of Technology, Gardens Point Campus, Brisbane, QLD 4001, Australia.

Published: July 2023

The electronic structure and magnetic properties of the ferromagnetic FeGeTe monolayer have been extensively studied in recent years. Experimentally, external strain can be produced inevitably during the growth on the substrate. However, the impact of strain on the structural, electronic, and magnetic properties remains largely underexplored. Herein, by using density functional theory, we systematically investigate the crystalline configuration and electronic structure of the FeGeTe monolayer in the presence of external strain. We find that a moderate compressive strain could break the structural vertical symmetry, leading to a sizable out-of-plane dipole moment, while the ferromagnetism can be retained. Surprisingly, strain-induced polarization in the off-center Fe and Ge atoms barely contributes to the energy states at the Fermi level. The efficient decoupling of the conductivity and polarization in the strained FeGeTe monolayer results in an extremely rare phase with the coexistence of polarization, metallicity, and ferromagnetism, , magnetic polar metals for potential applications in magnetoelectricity and spintronics.

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Source
http://dx.doi.org/10.1039/d3cp01616aDOI Listing

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