Two-dimensional ferromagnetic V2Cl3Br3 with tunable topological phases

Abstract

In recent years, there has been significant research focus on topological states in two-dimensional materials, particularly those exhibiting intrinsic magnetic orderings. In this study, we employ theoretical calculations to uncover the remarkable band topology of monolayer V2Cl3Br3. This two-dimensional compound not only possesses a half-metallic ferromagnetic ground state but also demonstrates exceptional thermodynamic and mechanical stabilities. Notably, we observe clean band crossings with complete spin polarization, which manifest as phase transitions between Weyl semimetal states and quantum anomalous Hall states under different magnetization directions. Both of these topological phases exhibit pronounced edge states. Furthermore, utilizing Monte Carlo simulations with the Heisenberg model, we estimate a high Curie temperature of up to 79.2 K, indicating its potential for spintronic development. Additionally, we analyze the mechanical properties of the material, emphasizing its isotropic mechanical behavior, which offers advantageous features for practical applications. These findings establish the foundation for further exploration of practical applications involving two-dimensional ferromagnetic topological states. Importantly, the identified material candidate can be readily incorporated into experimental preparation, thus accelerating progress in topological quantum applications and the development of half-metallic spintronic devices.

Keywords

• Nodal point state
• Quantum anomalous Hall state
• Topological phase
• First principles calculation
• Topological material
• Density functional theory