Abstract
We experimentally investigated the dipole layer formation at Al2O3/AlFxOy (x:y = 1:1 and 1:2.5) interfaces, which would be explicable by considering the anion density difference as the key parameter to determine the dipole direction at the dielectric interface with different anions. Molecular dynamics (MD) simulation of Al2O3/AlF3 demonstrates a preferential migration of O from Al2O3 to AlF3 compared with F to the opposite direction which suggests that anion migration due to the density difference could determine the direction of the dipole layer formed at this interface. In addition, charge separation due to the difference in the anion valences could have certain effect simultaneously.
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