Abstract
We investigate the cleaving behavior of LiFeAs and determine its surface electronic structure by detailed density functional calculations. We show that due to the neutral surface of LiFeAs after cleaving, barely any influence of the surface on the electronic states is present. Therefore the data of surface sensitive probes such as angle resolved photoemission spectroscopy (ARPES) represent to a high degree the bulk electronic structure. This we highlighted by a direct comparison of the calculations to ARPES spectra.
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