Abstract
Using density functional theory and MonteCarlo 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 MnBi_{2}Te_{4} 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 MnBi_{2}Te_{4} 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, MnBi_{2}Te_{4} 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.
Highlights
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
In this Letter, using state-of-the-art ab initio techniques and the Monte Carlo method, we study the magnetic, electronic and topological properties of the layered van der Waals (vdW) AFM topological insulators (TIs) compound MnBi2Te4 in the 2D limit
Reversing the magnetization of the FM 2-septuple layer (SL)-thick MnBi2Te4 film yields the C 1⁄4 þ1 quantized anomalous Hall (QAH) state. These results suggest that the 2-SLthick cAFM MnBi2Te4 film is likely to be in a so-called zero plateau QAH (ZPQAH) state
Summary
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. In this Letter, using state-of-the-art ab initio techniques and the Monte Carlo method, we study the magnetic, electronic and topological properties of the layered vdW AFM TI compound MnBi2Te4 in the 2D limit.
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