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

M.C.URDANIZ; M.A..BARRAL; A.M.LLOIS

PHYSICA B - CONDENSED MATTER

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2009 vol. 404 p. 2822 - 2825

0921-4526

We investigate the electronic and magnetic properties of linear chains of 3d atoms, namely Cr and Mn, supported on a monolayer of copper nitride on Cu(1 0 0) using first principles 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 chains, the chemical environment and the lattice relaxation determine the magnetic properties of the investigated nanochains.