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We present first-principles results on the structural, electronic, andmagnetic properties of a new family of two-dimensional antiferromagnetic (AFM)manganese chalcogenides, namely monolayer MnX and Janus XMnY (X, Y= S, Se, Te),among which monolayer MnSe was recently synthesized in experiments[\href{https://pubs.acs.org/doi/abs/10.1021/acsnano.1c05532}{ACS Nano 15(8),13794 (2021)}]. By carrying out calculations of the phonon dispersion and\textit{ab-initio} molecular dynamics simulations, we first confirmed thatthese systems, characterized by an unconventional strongly coupled bilayeratomic structure (consisting of Mn atoms buckled to chalcogens forming top andbottom ferromagnetic (FM) planes with antiparallel spin orientation) aredynamically and thermally stable. The analysis of the the magnetic propertiesshows that these materials have robust AFM order, retaining a much lower energythan the FM state even for under strain. Our electronic structure calculationsreveal that pristine MnX and their Janus counterparts are indirect-gapsemiconductors, covering a wide energy range and displaying tunable band gapsby the application of biaxial tensile and compressive strain. Interestingly,owing to the absence of inversion and time-reversal symmetry, and the presenceof an asymmetrical potential in the out-of-plane direction, Janus XMnY becomespin-split gapped systems, presenting a rich physics yet to be explored. Ourfindings provide novel insights in this physics, and highlight the potentialfor these two-dimensional manganese chalcogenides in AFM spintronics.

Monolayer MnX and Janus XMnY (X, Y= S, Se, Te): A New Family of 2D Antiferromagnetic Semiconductors