4.6 Article

Control of magnetic properties of MnBi2Te4 using a van der Waals ferroelectric III2-VI3 film and biaxial strain

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PHYSICAL REVIEW B
卷 101, 期 18, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.101.184426

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  1. US Department of Energy, Office of Science, Basic Energy Sciences [DE-FG02-05ER46237]
  2. National Energy Research Scientic Computing Center (NERSC)

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Using the first-principles calculations, we systematically investigated magnetic properties of a MnBi2Te4 (MBT) monolayer in contact with III2-VI3 two-dimensional ferroelectric substrates. As the electric polarization in the ferroelectric films is switched, a semiconductor to half-metal transition occurs in MBT, and its magnetic easy axis in several cases reorients. As an example, the Curie temperature of MBT/In2Se3 can be enhanced to 21.5 or 32 K under the influence of electric polarization and biaxial strain, much higher than that of the pristine MBT monolayer, which is 14.5 K in our calculations. Our results suggest effective ways to tune magnetic properties of MBT and provide useful insights for the further development of these important van der Waals functional materials.

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