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We performed a combined study of the (001)-cleavage plane of lanthanumhexaboride (LaB$_\text{6}$) using scanning tunneling microscopy (STM) anddensity functional theory (DFT). Experimentally, we found a (2$\times$1)reconstructed surface on a local scale. The reconstruction is only short-rangeordered and tends to order perpendicularly to step edges. At larger distancesfrom surface steps, the reconstruction evolves to a labyrinth-like pattern.These findings are supported by low-energy electron diffraction (LEED)experiments. Slab calculations within the framework of DFT shows that theatomic structure consists of parallel lanthanum chains on top of boronoctahedra. Scanning tunneling spectroscopy (STS) shows a prominent spectralfeature at -0.6 eV. Using DFT, we identify this structure as a surfaceresonance of the (2$\times$1) reconstructed LaB$_\text{6}$ (100)-surface whichis dominated by boron dangling bond-states and lanthanum d-states.

Surface resonance of the (2$\times$1) reconstructed lanthanum hexaboride (001)-cleavage plane: a combined STM and DFT study