The Atomic Structure of Oxide/Oxide Interface

Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

“…The experimental cubic lattice parameters of FeS 2 and CoS 2 are 5.416 Å and 5.508 Å, respectively. 12,27 For the supercell we employ the average of the two bulk lattice constants to overcome the lattice mismatch of 1.6%. In the following, the magnitude of strain is described by the deviation (in percent) of the lattice constant from this value.…”

“…11 Many experimental and theoretical interface studies reported in the literature deal with perovskite oxides, see ref. 12-14 for instance, with a particular focus on half-metallic ferromagnetic materials. [15][16][17][18] Along with these, interfaces between half-metallic magnets and semiconductors have also been investigated.…”

Progress in Modification of Indium-Tin Oxide/Organic Interfaces for Organic Light-Emitting Diodes

“…The traditional theory at inorganic/inorganic crystalline semiconductor interfaces is no longer applicable for the interface between an organic and an oxide semiconductor. [42][43][44][45][46][47][48][49][50][51][52] ITO/organic interfaces have commonly been estimated by assuming "vacuum-level alignment" across the interface using separately determined values for electrode work function and organic material ionization energy and electron affinity. But physicochemical phenomena occurring at such interfaces usually result in fairly arbitrary barrier-height values estimated from vacuum-level alignment, except in a few fortunate cases.…”