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Updated: Oct 11, 2026

Growth and Electrostatic/chemical Properties of Metal/LaAlO3/SrTiO3 Heterostructures
Published on: February 8, 2018
Nonstoichiometric interfaces and Al2O3 adhesion with Al and Ag
1Princeton Materials Institute, Princeton University, Princeton, New Jersey 08540, USA.
Abstract:
We have determined the relative stability of stoichiometric, oxygen-rich, and aluminum-rich Al/Al 2O (3) and Ag/Al 2O (3) interfaces from first principles. Stable structures vary significantly with oxygen chemical potentials. Computed works of adhesion agree reasonably well with sessile drop experimental values, including correlation with measured oxygen chemisorption effects on Ag. The ordering of predicted bond energies of the interfaces, ceramics, and metals seems consistent with monotonic and fatigue fracture experiments.
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