Phonons on Cu(001) surface covered by submonolayer alkali metals

J Phys Condens Matter. 2019 Mar 27;31(12):125001. doi: 10.1088/1361-648X/aafc05. Epub 2019 Jan 4.

Abstract

We present a theoretical investigation of the structural and vibrational properties of ordered 2D phases formed by the Li, Na and K atoms on the Cu[Formula: see text] surface. The lattice relaxation, phonon dispersions and polarization of vibrational modes as well as the local density of states are calculated using the embedded-atom method. The obtained structural parameters and vibrational frequencies are in close agreement with available experimental results.