Surface Geometric and Electronic Structure of BaFe2As2(001)

Abstract

BaFe2As2 exhibits properties characteristic of the parent compounds of the newly discovered iron (Fe)-based high-TC superconductors. By combining the real space imaging of scanning tunneling microscopy/spectroscopy (STM/S) with momentum space quantitative Low Energy Electron Diffraction (LEED) we have identified the surface plane of cleaved BaFe2As2 crystals as the As terminated Fe-As layer - the plane where superconductivity occurs. LEED and STM/S data on the BaFe2As2(001) surface indicate an ordered arsenic (As) - terminated metallic surface without reconstruction or lattice distortion. It is surprising that the STM images the different Fe-As orbitals associated with the orthorhombic structure, not the As atoms in the surface plane.