Nature Communications · 2019 · 329 citations · 34 references
Multiferroics, materials that are simultaneously ferromagnetic and ferroelectric, promise control of disparate ferroic orders for microwave magnetoelectric applications and next‑generation spintronics, but single‑phase systems struggle with conflicting d‑orbital occupations and nanocomposites demand structural compatibility at interfaces. Here we propose a two‑dimensional heterostructure multiferroic by stacking atomic layers of ferromagnetic Cr₂Ge₂Te₆ and ferroelectric In₂Se₃, achieving all‑atomic multiferroicity. We employ first‑principles density‑functional theory to model the Cr₂Ge₂Te₆/In₂Se₃ van der Waals heterostructure and predict how polarization reversal in In₂Se₃ switches the magnetism of Cr₂Ge₂Te₆ via proximity effects. The calculations show that reversing In₂Se₃’s polarization switches Cr₂Ge₂Te₆’s magnetism, turning In₂Se₃ into a switchable magnetic semiconductor, a duality that enables logic applications and opens avenues for low‑dimensional magnetoelectric physics and spintronics in artificial superlattices.
Materials that are simultaneously ferromagnetic and ferroelectric - multiferroics - promise the control of disparate ferroic orders, leading to technological advances in microwave magnetoelectric applications and next generation of spintronics. Single-phase multiferroics are challenged by the opposite d-orbital occupations imposed by the two ferroics, and heterogeneous nanocomposite multiferroics demand ingredients' structural compatibility with the resultant multiferroicity exclusively at inter-materials boundaries. Here we propose the two-dimensional heterostructure multiferroics by stacking up atomic layers of ferromagnetic Cr2Ge2Te6 and ferroelectric In2Se3, thereby leading to all-atomic multiferroicity. Through first-principles density functional theory calculations, we find as In2Se3 reverses its polarization, the magnetism of Cr2Ge2Te6 is switched, and correspondingly In2Se3 becomes a switchable magnetic semiconductor due to proximity effect. This unprecedented multiferroic duality (i.e., switchable ferromagnet and switchable magnetic semiconductor) enables both layers for logic applications. Van der Waals heterostructure multiferroics open the door for exploring the low-dimensional magnetoelectric physics and spintronic applications based on artificial superlattices.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text