Unique Thickness-Dependent Properties of the van der Waals Interlayer Antiferromagnet MnBi2Te4 Films

Abstract

Using density functional theory and Monte Carlo calculations, we study the thickness dependence of the magnetic and electronic properties of a van der Waals interlayer antiferromagnet in the two-dimensional limit. Considering MnBi2Te4 as a model material, we find it to demonstrate a remarkable set of thickness-dependent magnetic and topological transitions. While a single septuple layer block of MnBi2Te4 is a topologically trivial ferromagnet, the thicker films made of an odd (even) number of blocks are uncompensated (compensated) interlayer antiferromagnets, which show wide band gap quantum anomalous Hall (zero plateau quantum anomalous Hall) states. Thus, MnBi2Te4 is the first stoichiometric material predicted to realize the zero plateau quantum anomalous Hall state intrinsically. This state has been theoretically shown to host the exotic axion insulator phase.