Dynamical mean-field study of Vanadium diselenide monolayer ferromagnetism

Abstract

To understand the magnetism of VSe${}_2$, whose monolayer form has recently been reported to be a room temperature ferromagnet, Here, the combined method of conventional density functional theory with dynamical mean-field theory has been adopted. This higher-level computation method enables us to resolve many of existing controversies and contradictions in between theory and experiment. First of all, this new approach is shown to give the correct magnetic properties of both bulk and two-dimensional limit of VSe${}_2$ which demonstrates its superiority to the conventional methods. The results demonstrate that monolayer VSe${}_2$ without charge density waves is a ferromagnet with ordering temperature of 250K. From the direct simulation of temperature-dependent magnetic susceptibility and ordered moment, it is shown that its ferromagnetism is clearly two-dimensional in nature. Further, it is shown that this ferromagnetic order is vulnerable to extra charge dopings which provides the important insight to elucidate recent experimental controversies.

arXiv comment10 pages, 4 figures

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• Dynamical correlations in single-layer CrI${}_3$
• Spin-dependent Tunneling Barriers in CoPc/VSe2 from Many-Body Interactions
• Atomic arrangement of van der Waals heterostructures using X-ray scattering and crystal truncation rod analysis
• The role of surface spin polarization on ceria-supported Pt nanoparticles
• Alloying 2D VSe2 with Pt: from a charge density wave state to a disordered insulator
• Near room-temperature ferromagnetism from double-exchange in the van der Waals material CrGeTe${}_3$: evidence from optical conductivity under pressure