Quantum phase transition of two-dimensional NdOCl

This study employs the cellular dynamical mean-field theory (CDMFT), combined with the continuous-time quantum Monte Carlo (CTQMC) method as the impurity solver, to investigate the metal-Mott insulator phase transition and magnetic phase transition in two-dimensional NdOCl under the interplay of strongly correlated interactions and temperature. By calculating the density of states, double occupancy, Fermi surface, and magnetic order parameters of the system, we demonstrate that second-order phase transitions and magnetic symmetry breaking emerge with increasing interaction strength. These results provide a theoretical and computational basis for the fundamental research and potential applications of two-dimensional structured rare earth metals such as NdOCl, holding significant implications for advancing both basic science and technological developments in correlated quantum materials.