DMRG and Monte Carlo studies of ${\text{CrI}}_3$ magnetic phases and the phase transition

Abstract

The monolayer of ${\text{CrI}}_3$ has been reported to exhibit the ferromagnetic order, with a Curie temperature of $45K$ and off-plane easy axis, which has attracted much attention in the community of condensed matter physics. Using the Density Matrix Renormalization Group method, we investigate the role of correlation effects and using classical Monte Carlo simulations analyze the nature of phase transitions in the XXZ Hamiltonian on a honeycomb lattice, which can effectively model ${\text{CrI}}_3$. We show, that the magnetic ordering of the Hamiltonian's ground state can be well approximated by classical models in a wide range of an anisotropy parameter space. Using classical Monte Carlo simulations we estimate the Curie temperature of $49.7K$ which is in good agreement with experimental result.

References in corpus (7)

• 2D materials and van der Waals heterostructures
• The density-matrix renormalization group in the age of matrix product states
• Magnetic 2D materials and heterostructures
• Ising-Type Magnetic Ordering in Atomically Thin FePS3
• Minimally Entangled Typical Thermal State Algorithms
• Magnetic Skyrmions in Atomic Thin CrI${}_3$ Monolayer
• Atomic-scale defects in the two-dimensional ferromagnet CrI${}_3$ from first principles