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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2605.09674 |
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Table of Contents:
- Chalcogen-terminated van der Waals MXenes (M2CX2; M = Nb, Ta; X = S, Se) provide a robust platform for exploring strong spin-orbit coupling and proximity engineering. To probe their tunability and guide optimization of emergent properties, we systematically examine sister compounds and propose M2CS2/CrBr3 heterostructures that break time-reversal symmetry via proximity exchange coupling, enabling combined intrinsic magnetic and mechanical control. First-principles calculations reveal Rashba splitting up to 2.53 eV A and valley-contrasting spin polarization in monolayers. These features drive strong second-order nonlinear responses, with pristine bilayer Ta2CS2 reaching a shift current of |sigma|_max approx 5 A mA/V^2 and Nb2CS2/CrBr3 attaining |D|_max approx 18.44 A. In M2CS2/CrBr3 heterostructures, the ferromagnetic substrate induces a magnetization-reversible proximity exchange field with valley-selective conduction-band renormalization (Delta_val approx 50 meV). Crucially, interfacial geometry, controlled by stacking inversion and lateral sliding, acts as a mechanical knob that continuously tunes the exchange-SOC interplay and bandgap, driving an emergent quantum anomalous Hall phase in the bilayer.