Correlation anisotropy driven Kosterlitz–Thouless-type quantum phase transition in a Kondo simulator

Abstract

The precise manipulation of the quantum states of individual atoms/molecules adsorbed on metal surfaces is one of the most exciting frontiers in nanophysics, enabling us to realize novel single molecular logic devices and quantum information processing. Herein, by modeling an iron phthalocyanine molecule adsorbed on the Au(111) surface with a two-impurity Anderson model, we demonstrate that the quantum states of such a system could be adjusted by the uniaxial magnetic anisotropy D_z. For negative D_z, the ground state is dominated by a parallel configuration of the z component of local spins, whereas it turns to be an antiparallel one when D_z becomes positive. Interestingly, we found that these two phases are separated by a Kosterlitz–Thouless-type quantum phase transition, which is confirmed by the critical behaviors of the transmission coefficient and the local magnetic moment. Both phases are associated with spin correlation anisotropy, thus move against the Kondo effect. When the external magnetic field is applied, it first plays a role in compensating for the effect of D_z, and then it contributes significantly to the Zeeman effect for positive D_z, accompanied by the reappearance and the splitting of the Kondo peak, respectively. For fixed negative D_z, only the Zeeman behavior is revealed. Our results provide deep insights into the manipulation of the quantum phase within a single molecular junction.