Structural, electronic, and magnetic properties of Vanadium-based Janus dichalcogenide monolayers: A first-principles study

Abstract

The structural, electronic, and magnetic properties of VSSe, VSeTe, VSTe monolayers in both 2H and 1T phases are investigated via first-principles calculations. The 2H phase is energetically favorable in VSSe and VSeTe, whereas the 1T phase is lower in energy in VSTe. For V-based Janus monolayers in the 2H phase, calculations of the magnetic anisotropy show an easy-plane for the magnetic moment. As such, they should not exhibit a ferromagnetic phase transition, but instead, a Berezinskii-Kosterlitz-Thouless (BKT) transition. A classical XY model with nearest-neighbor coupling estimates critical temperatures (T${}_{BKT}$) ranging from 106 K for VSSe to 46 K for VSTe.

arXiv comment7 pages, 5 figures

References in corpus (12)

• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
• Gate-tunable Room-temperature Ferromagnetism in Two-dimensional Fe${}_3$GeTe${}_2$
• Magnetic 2D materials and heterostructures
• Electrical Control of 2D Magnetism in Bilayer CrI3
• Room Temperature Intrinsic Ferromagnetism in Epitaxial Manganese Selenide Films in the Monolayer Limit
• Calculations of Hubbard U from first-principles
• Neel order in square and triangular lattice Heisenberg models
• Unique gap structure and symmetry of the charge density wave in single-layer VSe${}_2$
• Electronic band structure and exchange coupling constants in ACr2X4 spinels
• Giant spin-orbit splitting of point defect states in monolayer WS${}_2$
• Stable charge density wave phase in a 1T-TiSe${}_2$ monolayer

Cited by in corpus (8)

• Synthesis, Engineering, and Theory of 2D van der Waals Magnets
• Electric field and Strain-induced Band-gap Engineering and Manipulation of the Rashba Spin Splitting in Janus van der Waals Heterostructures
• Electrically tunable magnetism and unique intralayer charge transfer in Janus monolayer MnSSe for spintronics applications
• 2D-XY ferromagnetism with high transition temperature in Janus monolayer V${}_2$XN (X = P, As)
• When Energy and Information Revolutions Meet 2D Janus
• MXene Fe2C as a promising candidate for the 2D XY ferromagnet
• Tunability of the magnetic properties in Ni intercalated transition metal dichalcogenide NbSe${}_2$
• Electric-field induced half-metallicity in a two-dimensional ferromagnetic Janus VSSe bilayer