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A self-consistent pseudopotential calculation for an unrelaxed Mo(001) surface reveals strong surface states and resonances. The results are used to interpret the sharp peak structure near the Fermi level and other structures measured by recent angle-resolved photoemission experiments. The structure is attributed uniquely to surface states and resonances. Contrary to other proposals, relativistic, many-body, and surface-contraction effects are not necessary to explain the observed spectra.
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Kerker et al. (1978) studied this question.
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