Database of Band Alignment and Prediction of Magnetoelectric Coupling in Multiferroic Heterostructures

I. Band Alignment between 2D magnets and conventional bulk Ferroelectrics

II. Band Alignment between 2D magnets and new Ferroelectrics

References

III. Doping-induced interlayer magnetic phase transition

Free carriers may induce the magnetic transition between interlayer FM and AFM orders.

The left panel is an example of bilayer CrCl3 under electron and hole dopings. Both high-temperature (HT) and low-temperature (LT) interlayer stackings are considered.

IV. Potential Charger-transfer-induced magnetoelectric coupling

Given the band alignment and vdW magnets, which are sensitive to doped free carriers, the following heterostructures may exhibit intrinsic charge transfer, leading to field-controllable doping and magnetoelectric coupling:

CrCl3/SrTiO3,

CrCl3/PbTe

CrCl3/PbSe,

CrI3/SrTiO3,

CrI3/PbTe,

CrI3/PbSe,

NiI2/SrTiO3,

NiI2/PbSe,

NiI2/PbTe,

NiI2/SnSe,

Cr2O2F2/CuBiP2Se6,

Cr2O2F2/AgBiP2Se6,

Cr2O2F2/CuInP2Se6,

VoF2/CuBiP2Se6,

VoF2/AgBiP2Se6,

VoF2/CuInP2Se6,

FeCl3/CuInP2S6,

FeCl3/Ag2Br2Se4,

FeCl3/CuBiP2Se6,

FeCl3/CuInP2Se6, and many more combinations from the type-III band alignments listed in the last figure of section II.

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