Dynamical mean-field theory study of a ferromagnetic CrI3 monolayer

We have employed one of the well-known many-body techniques, density functional theory plus dynamical mean-field theory (DFT + DMFT), to investigate the electronic structure of ferromagnetic monolayer CrI3 as a function of temperature and hole-doping concentration. The computed magnetic susceptibility follows Curie's law, indicating that the ferromagnetism of monolayer CrI3 originates from localized magnetic moments of Cr atoms rather than Stoner-type itinerant ones. The DFT + DMFT calculations show a different coherent temperature for each spin component, demonstrating apparent strong spin-dependent electronic correlation effects in monolayer CrI3. Furthermore, we have explored the doping-dependent electronic structure of monolayer CrI3 and found that its electronic and magnetic properties is easily tunable by the hole-doping.

Automated summary

In this study, we employed the DFT + DMFT technique to investigate the electronic structure of ferromagnetic monolayer CrI3 as a function of temperature and hole-doping concentration. The results show that the ferromagnetism of monolayer CrI3 originates from localized magnetic moments of Cr atoms rather than Stoner-type itinerant ones. The calculations also reveal apparent strong spin-dependent electronic correlation effects in monolayer CrI3. Furthermore, we found that the electronic and magnetic properties of monolayer CrI3 can be easily tuned by hole-doping.