Absence of surface states for LiFeAs investigated using density functional calculations

作者：Lankau Alexander^*; Koepernik Klaus; Borisenko Sergey; Zabolotnyy Volodymyr; Buechner Bernd; van den Brink Jeroen; Eschrig Helmut

来源：Physical Review B, 2010, 82(18): 184518.

DOI：10.1103/PhysRevB.82.184518

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.

• 出版日期2010-11-10