Interlayer-coupling-engineerable flat bands in twisted MoSi2N4 bilayers.

The two-dimensional layered semiconductor MoSi2N4, which has several advantages including high strength, excellent stability, high hole mobility, and high thermal conductivity, was recently successfully synthesized using chemical vapor deposition. Based on first-principles calculations, we investigate the effects of the twist angle and interlayer distance variation on the electronic properties of twisted bilayer MoSi2N4. The flat bands are absent for twisted bilayer MoSi2N4 when the twist angle θ is reduced to 3.89°. Taking twisted bilayer MoSi2N4 with θ of 5.09° as an example, we find that flat bands emerge as the interlayer distance decreases. As the interlayer distance can be effectively modulated by hydrostatic pressure, we propose hydrostatic pressure as a knob for tailoring the flat bands in twisted bilayer MoSi2N4. Our findings provide theoretical support for extending the applications of MoSi2N4 in strong correlation physics and superconductivity.