Multifunctional Integration of Vanadium-Based Chalcogenides VX (X = S, Se, Te)

Two-dimensional (2D) ferromagnetic materials integrating multiple functions are promising candidates for building magnetic and electronic nanodevices. Here, we predict a series of stable 2D multifunctional ferromagnetic monolayers VX (X = S, Se, Te) encompassing indirect semiconducting and half-metallic phases with sizable spin gaps. Due to the strong ferromagnetic coupling present in the VX monolayers, the magnetic transition temperatures (Tc) of VS, VSe, and VTe reach 369, 315, and 311 K, respectively. Furthermore, the magnetic and electronic properties of VX monolayers can be sensitively modulated via mechanical strain, while the VS and VSe monolayers further exhibit negative Poisson’s ratios. The VX monolayers thus represent an unusual family of 2D ferromagnetic materials with strong mechano-electromagnetic coupling that may serve as a building block for future multifunctional nanodevices.