The structure phase transition in atom-wide Co wires on a vicinal Cu{111} surface

Abstract The ab initio calculations are performed to study the structure of atom-wide Co wire on a vicinal Cu{111} surface. We have found two ferromagnetic states of Co wires. In the first state the Co wire consists of dimers, while in the second state the distance between atoms in Co wire is equal. Using Monte Carlo simulations we demonstrated the structure phase transition in a Co wire. Moreover, the phase transition temperature was determined and the size-effect was studied.