Substrate effects on the ground state magnetic configuration of 3d transition metal chains

MARÍA CORINA URDANIZ; MARÍA ANDREA BARRAL; ANA MARÍA LLOIS

PHYSICA B - CONDENSED MATTER

Elsevier

Año: 2009 vol. 404 p. 2822 - 2825

0921-4526

We investigate electronic and magnetic structures of linear chains of 3d atoms, namely Cr and Mn, supported on a monolayer of copper nitride on Cu(100) using first principle LSDA calculations. Based on these results, we also calculate the intrachain magnetic coupling by means of an effective Heisenberg model.We obtain that, the sp occupation of the chain, the chemical environment and the lattice relaxation determine the magnetic properties of theinvestigated nanochains.