Abstract
To study the metal/semiconductor interface by means of atomistic simulation, an effective interfacial potential is an important issue. In this work, we use a Chen–Möbius inversion method to study the Ag/GaN(0001) interface, and get a concise and general inversion formula, which is used to extract interfacial potentials for the Ag(111)/GaN(0001) interface derived from ab initio adhesive energies. Transferability of those potentials at different environment are checked, and the result show that the inversed potentials are self-consistent and also partially transferable.
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