Fig. 1: Atomic and magnetic configurations of MnPS3 monolayer and bilayers. | npj 2D Materials and Applications

Fig. 1: Atomic and magnetic configurations of MnPS3 monolayer and bilayers.

From: Engineering altermagnetism via layer shifts and spin order in bilayer MnPS3

Fig. 1: Atomic and magnetic configurations of MnPS3 monolayer and bilayers.The alternative text for this image may have been generated using AI.

Top: Crystal structures of the MnPS3 monolayer, AA and \({{\rm{AA}}}^{{\prime} }\) bilayers. The two distinct sulfur planes (upper and lower) are highlighted in the monolayer structure to clarify how their relative alignment defines the AA and \({{\rm{AA}}}^{{\prime} }\) stacking geometries. In the \({{\rm{AA}}}^{{\prime} }\) geometry, the upper layer is inverted along the out-of-plane axis (z → − z). Bottom left and right: Local Mn coordination environments in AA and \({{\rm{AA}}}^{{\prime} }\) bilayers, respectively. Bottom center: Interlayer magnetic configurations derived from the antiferromagnetic monolayer. The bilayer can adopt either parallel AFM (/) or antiparallel AFM (/), each leading to distinct symmetry and magnetic phase behaviors.

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