Engineering strong magnetoelectricity using a hexagonal 2D material on electron-doped hexagonal LuFeO_3
arxiv(2024)
Abstract
Cubic perovskite-structure ABO_3 and A_1-xA^'_xBO_3-type
oxides have been investigated extensively while their hexagonal-structure
versions have received minimal attention, even though they are multiferroic and
can form heterostructures with the manifold hexagonal two-dimensional
materials. Hexagonal ferrites of the form RFeO_3, where R is yttrium or a
rare-earth element such as Lu, Yb, etc., feature coupled ferroelectricity (FE)
and weak-ferromagnetism (wFM), exhibiting linear magnetoelectricity. Their only
drawback is weak ferromagnetism. In this paper, we employ
density-functional-theory (DFT) calculations on hexagonal LuFeO_3 (h-LFO),
targeting its magnetic ordering by electron doping,anticipating
spin-disproportionation of the Fe sublattices. Indeed, we show that
spin-disproportionation in heavily-electron-doped versions
Lu_1-xHf_xFeO_3 (h-LHFO), especially for x=1/3 and 1/2, leads to
robust out-of-plane collinear ferrimagnetism that is stable at room
temperature. Furthermore, the robust ferroelectricity of h-LFO persists via a
Jahn-Teller metal-to-insulator transition. Finally, we construct a
h-LHFO/h-2D heterostructure, where h-2D stands for the FE/FM monolayer
MnSTe, and demonstrate strong magnetoelectric coupling, namely manipulation of
magnetic skyrmions in MnSTe by an external electric field through the h-LHFO
polarization, opening up a new realm for magnetoelectric applications.
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