Quantum size effects in Pb layers with absorbed Kondo adatoms: Determination of the exchange coupling constant

Abstract

We consider the magnetic interaction of manganese phtalocyanine (MnPc) absorbed on Pb layers that were grown on a Si substrate. We perform an ab initio calculation of the density of states and Kondo temperature as a function of the number of Pb monolayers. Comparison to experimental data then allows us to determine the exchange coupling constant J between the spins of the adsorbed molecules and those of the Pb host. This approach gives rise to a general and reliable method for obtaining J by combining experimental and numerical results. © 2009 The American Physical Society.