Abstract

The structure of the Cu(110) surface is studied at high temperatures using a combination of lattice-gas Monte Carlo and molecular dynamics methods with identical many-atom interactions derived from the effective-medium theory. A clear roughening transition is found around 1000 K. The rough phase is identified from a logarithmic divergence of the height-height correlation function. The roughening mechanism is connected with the formation of thermally generated diffusive clusters of both adatom and vacancy type.

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