title: Orientation dependent ionization potential of In2O3: a natural source for inhomogeneous barrier formation at electrode interfaces in organic electronics.
abstract: The ionization potentials of In(2)O(3) films grown epitaxially by magnetron sputtering on Y-stabilized ZrO(2) substrates with (100) and (111) surface orientation are determined using photoelectron spectroscopy. Epitaxial growth is verified using x-ray diffraction. The observed ionization potentials, which directly affect the work functions, are in good agreement with ab initio calculations using density functional theory. While the (111) surface exhibits a stable surface termination with an ionization potential of ∼ 7.0 eV, the surface termination and the ionization potential of the (100) surface depend strongly on the oxygen chemical potential. With the given deposition conditions an ionization potential of ∼ 7.7 eV is obtained, which is attributed to a surface termination stabilized by oxygen dimers. This orientation dependence also explains the lower ionization potentials observed for In(2)O(3) compared to Sn-doped In(2)O(3) (ITO) (Klein et al 2009 Thin Solid Films 518 1197-203). Due to the orientation dependent ionization potential, a polycrystalline ITO film will exhibit a laterally varying work function, which results in an inhomogeneous charge injection into organic semiconductors when used as electrode material. The variation of work function will become even more pronounced when oxygen plasma or UV-ozone treatments are performed, as an oxidation of the surface is only possible for the (100) surface. The influence of the deposition technique on the formation of stable surface terminations is also discussed.
authors.affiliation: Technische Universität Darmstadt, Fachbereich Material- und Geowissenschaften, Petersenstrasse 32, D-64287 Darmstadt, Germany.
authors.forename: Mareike V
authors.initials: MV
authors.lastname: Hohmann
authors.forename: Péter
authors.initials: P
authors.lastname: Ágoston
authors.forename: André
authors.initials: A
authors.lastname: Wachau
authors.forename: Thorsten J M
authors.initials: TJ
authors.lastname: Bayer
authors.forename: Joachim
authors.initials: J
authors.lastname: Brötz
authors.forename: Karsten
authors.initials: K
authors.lastname: Albe
authors.forename: Andreas
authors.initials: A
authors.lastname: Klein
mesh_terms: D004566:Electrodes; D004581:Electronics; D007204:Indium / Q000737:chemistry*; D008422:Materials Testing; D010084:Oxidation-Reduction; D013499:Surface Properties; D017971:Tin Compounds / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D017971:Tin Compounds; D007204:Indium; C047711:indium oxide; C109984:indium tin oxide; C045358:stannic oxide