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Abstract
Abstract We present an ab initio investigation of localised and resonant phonons on the relaxed KCl(001) surface. Our calculated results are in good accordance with recent high-resolution helium atom scattering measurements. The energy locations and atomic displacement patterns corresponding to a few characteristic surface phonons, such as the Rayleigh, Love, Wallis and Lucas modes, have been identified, and compared and contrasted with their counterparts obtained from a previous shell model calculation.
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