Abstract
The discovery of atomically thin van der Waals magnetic materials has triggered numerous opportunities for exploring light–matter interactions and magneto-optical phenomena in the two-dimensional limit. In this paper, the excited state electronic, optical, and magneto-optical properties of monolayer nickel dichloride (NiCl2), as a member of the family of two-dimensional ferromagnetic semiconductors, are studied using highly accurate many-body Green’s function perturbation theory. We compute the quasiparticle energies, dielectric function tensor, optical absorption spectrum, magnetic circular dichroism, and magneto-optical Kerr and Faraday spectra through the full-spinor GW and GW plus Bethe–Salpeter equation (GW+BSE) methods. Due to reduced screening in two-dimensional and the presence of highly localized d orbitals in Ni, monolayer NiCl2 exhibits enhanced self-energy corrections in the ground state band structure and strong excitonic effects dominating the optical and magneto-optical responses. Also to mimic the experimental setup, we provide a detailed theoretical formalism based on the transfer matrix method for simulating these signals in van der Waals heterostructures including monolayer NiCl2. We observe that the illumination wavelength and the thickness of layers composing the van der Waals heterostructure can be used to engineer the magnitude and sign of magneto-optical signals.
Published Version
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