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Ag/Si(111) heterojunction having ∼25% lattice mismatch can be formed by placing four surface unit cells of Ag(111) on three surface unit cells of Si(111), thereby reducing the effective strain in the Ag film to ∼0.3% in this coincidence site epitaxial growth. We have carried out first‐principles investigation of such Ag/Si(111) interface to establish the interplay between the structural and electronic...
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