Journal of Physical Chemistry C
Journal of Physical Chemistry C
5 years ago

Submonolayer Adsorption of Potassium on Reconstructed and Unreconstructed Cu(110): Structure and Phonons

Submonolayer Adsorption of Potassium on Reconstructed and Unreconstructed Cu(110): Structure and Phonons
E. V. Chulkov, S. V. Eremeev, G. G. Rusina, S. D. Borisova
We present a theoretical investigation of the structural and vibrational properties of the K/Cu(110) adsorbed systems using the embedded atom method. The surface relaxation, phonon dispersions, and polarization of vibrational modes as well as the local density of states have been calculated as a function of potassium coverage on reconstructed and unreconstructed Cu(110) surface. On the reconstructed surface, two K-substrate stretching modes have been found, which do not show any coverage dependence. The obtained vibrational frequencies of surface states are in close agreement with available experimental data.

Publisher URL: http://dx.doi.org/10.1021/acs.jpcc.7b08117

DOI: 10.1021/acs.jpcc.7b08117

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