Control of magnetic properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>MnB</mml:mi><mml:msub><mml:mi mathvariant="normal">i</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">T</mml:mi><mml:msub><mml:mi mathvariant="normal">e</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math> using a van der Waals ferroelectric <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>II</mml:mi><mml:msub><mml:mi mathvariant="normal">I</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mtext>−</mml:mtext><mml:mi mathvariant="normal">V</mml:mi><mml:msub><mml:mi mathvariant="normal">I</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> film and biaxial strain
Feng Xue, Zhe Wang, Yusheng Hou, Lei Gu, Ruqian Wu
Abstract
Using the first-principles calculations, we systematically investigated magnetic properties of a $\mathrm{MnB}{\mathrm{i}}_{2}\mathrm{T}{\mathrm{e}}_{4}$ (MBT) monolayer in contact with $\mathrm{II}{\mathrm{I}}_{2}\text{\ensuremath{-}}\mathrm{V}{\mathrm{I}}_{3}$ 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 $\mathrm{MBT}/\mathrm{I}{\mathrm{n}}_{2}\mathrm{S}{\mathrm{e}}_{3}$ 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.