Shear-resistant topology in quasi one-dimensional van der Waals material Bi$_4$Br$_4$ (2411.13320v1)

Abstract: Bi$_4$Br$_4$ is a prototypical quasi one-dimensional (1D) material in which covalently bonded bismuth bromide chains are arranged in parallel, side-by-side and layer-by-layer, with van der Waals (vdW) gaps in between. So far, two different structures have been reported for this compound, $\alpha$-Bi$_4$Br$_4$ and $\beta$-Bi$_4$Br$_4$ , in both of which neighboring chains are shifted by $\mathbf{b}/2$, i.e., half a unit cell vector in the plane, but which differ in their vertical stacking. While the different layer arrangements are known to result in distinct electronic properties, the effect of possible in-plane shifts between the atomic chains remains an open question. Here, using scanning tunneling microscopy and spectroscopy (STM/STS), we report a new Bi$_4$Br$_4$(001) structure, with a shift of $\mathbf{b}/3$ between neighboring chains in the plane and AB layer stacking. We determine shear strain to be the origin of this new structure, which can readily result in shifts of neighboring atomic chains because of the weak inter-chain bonding. For the observed $b/3$ structure, the (residual) atomic chain shift corresponds to an in-plane shear strain of $\gamma\approx7.5\%$. STS reveals a bulk insulating gap and metallic edge states at surface steps, indicating that the new structure is also a higher-order topological insulator, just like $\alpha$-Bi$_4$Br$_4$, in agreement with density functional theory (DFT) calculations.