Spontaneous Surface Collapse and Reconstruction in Antiferromagnetic Topological Insulator MnBi2Te4
Abstract
MnBi2Te4 is an antiferromagnetic topological insulator which stimulates intense interests due to the exotic quantum phenomena and promising device applications. Surface structure is a determinant factor to understand the novel magnetic and topological behavior of MnBi2Te4, yet its precise atomic structure remains elusive. Here, we discovered a spontaneous surface collapse and reconstruction in few-layer MnBi2Te4 exfoliated under delicate protection. Instead of the ideal septuple-layer structure in the bulk, the collapsed surface is shown to reconstruct as Mn-doped Bi2Te3 quintuple-layer and MnxBiyTe double-layer with a clear van der Waals gap in between. Combining with first-principles calculations, such spontaneous surface collapse is attributed to the abundant intrinsic Mn-Bi antisite defects and tellurium vacancy in the exfoliated surface, which is further supported by in-situ annealing and electron irradiation experiments. Our results shed light on the understanding of the intricate surface-bulk correspondence of MnBi2Te4, and provide insightful perspective of the surface-related quantum measurements in MnBi2Te4 few-layer devices.