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Structural and electronic properties of Ag films on V(100)

We report on density functional theory (DFT) calculations of V(100) surfaces with up to 5 monolayers of Ag. We have determined the structure, i.e. the interlayer distances, adsorption energies, and work function. We identified the quantum well (QW) states and resonances at k||=0, localized largely within the silver overlayers, which are characteristic of each particular film thickness and usually produce a strong photoemission signal, as well as the quasi-two-dimensional states at the Fermi level, which lead to quantum oscillations in scanning tunneling microscopy (STM) experiments.

density functional theory; overlayers; silver; vanadium

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