A novel nonpolar structure of 2 monolayer (ML) thick ZnO(0001) films grown on Ag(111) has been revealed, using surface x-ray diffraction and scanning tunneling microscopy. Zn and O atoms are arranged in planar sheets like in the hexagonal boron-nitride prototype structure. The observed depolarization is accompanied by a significant lateral 1.6% expansion of the lattice parameter and a 3% reduced Zn-O bond length within the sheets. The nonpolar structure stabilizes an atomically flat surface morphology unseen for ZnO surfaces thus far. The transition to the bulk wurtzite structure occurs in the 3-4 ML coverage range, connected to considerable roughening.
Using ab initio thermodynamics we compile a phase diagram for the surface of Fe3O4(001) as a function of temperature and oxygen pressures. A hitherto ignored polar termination with octahedral iron and oxygen forming a wavelike structure along the [110] direction is identified as the lowest energy configuration over a broad range of oxygen gas-phase conditions. This novel geometry is confirmed via x-ray diffraction analysis. The stabilization of the Fe3O4(001) surface goes together with dramatic changes in the electronic and magnetic properties, e.g., a half metal to metal transition.
The geometric structure of MgO deposited on Fe(001) in ultrahigh vacuum by electron evaporation was determined in detail by using surface x-ray diffraction. In contrast to the common belief that MgO grows in direct contact on the Fe(001) substrate, we find an FeO interface layer between the substrate and the growing MgO structure which has not been considered thus far. This result opens new perspectives for the understanding of the Fe/MgO/Fe(001) interface and the tunneling magnetoresistance effect in general.
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