Prediction and observation of the first antiferromagnetic topological insulator

Magnetic topological insulators (MTIs) are narrow gap semiconductor materials that combine non-trivial band topology and magnetic order. Unlike their nonmagnetic counterparts, MTIs may have some of the surfaces gapped due to breaking the time-reversal symmetry, which enables a number of exotic phenomena having potential applications in spintronics. So far, MTIs have only been created by means of doping nonmagnetic TIs with 3d transition metal elements, however, such an approach leads to strongly inhomogeneous magnetic and electronic properties of these materials, restricting the observation of important effects to very low temperatures. Finding intrinsic MTI, i.e. a stoichiometric well-ordered magnetic compound, could be an ideal solution to these problems, but no such material was observed to date. Here, using density functional theory we predict and further confirm by means of structural, transport, magnetic, angle- and spin-resolved photoemission spectroscopy measurements the realization of the antiferromagnetic (AFM) TI phase, that is hosted by the van der Waals layered compound MnBi$_2$Te$_4$. An interlayer AFM ordering makes MnBi$_2$Te$_4$ invariant with respect to the combination of the time-reversal ($\Theta$) and primitive-lattice translation ($T_{1/2}$) symmetries, $S = \Theta T_{1/2}$, giving rise to the $Z_2$ topological classification of AFM insulators. We find $Z_2 = 1$ for MnBi$_2$Te$_4$, which confirms its topologically nontrivial nature. The $S$-breaking (0001) surface of MnBi$_2$Te$_4$ exhibits a giant bandgap in the topological surface state as evidenced by ab initio calculations and photoemission measurements. These results culminate almost a decade-long search of an AFMTI, predicted in 2010. Furthermore, MnBi$_2$Te$_4$ is the first intrinsic magnetic TI realized experimentally.