Stacking-dependent electronic and topological properties in van der Waals antiferromagnet MnBi2Te4 films

Abstract

Combining first-principles calculations and tight-binding Hamiltonians, we study the stack-dependent behaviour of electronic and topological properties of layered antiferromagnet MnBi₂Te₄. Lateral shift of top septuple-layer greatly modifies electronic properties, and even induces topological phase transition between quantum anomalous Hall (QAH) insulators with C = 1 and trivial magnetic insulators with C = 0. The local energy minimum of “incorrect" stacking order exhibits thickness-dependent topology opposite to the usual stacking order, which is attribute to relatively weakened interlayer Te-Te interaction in “incorrect" stacking configuration. Our effective model analysis provides a comprehensive understanding of the underlying mechanisms involved, and we also propose two optical setups that can effectively differentiate between different stacking configurations. Our findings underscores the nuanced and profound influence that interlayer sliding in magnetic topological materials can have on the macroscopic quantum states, opening new avenues for the design and engineering of topological quantum materials.