Enhanced anharmonicity on Cu(110)

Abstract
We report a temperature-dependent study of the vibrations and the structure of Cu(110) using molecular-dynamics codes based on potentials obtained from the embedded-atom method. The calculated linewidths and frequencies of the surface phonons and resonances and the mean-square vibrational amplitudes of the atoms indicate a sharp rise in surface anharmonicity at about 600 K. Additionally, vacancies and adatoms begin to appear in the simulations of Cu(110) around 900 K. Comparison is made with experimental data and simulations of Cu(100).