Superconductivity and strain-enhanced phase stability of Janus tungsten chalcogenide hydride monolayers

Abstract

Janus transition metal-dichalcogenide (JTMD) materials have attracted a great deal of attention due to their remarkable physical properties arising from the two-dimensional geometry and the breakdown of the out-of-plane symmetry. Using first-principles density functional theory, we investigated the phase stability, strain-enhanced phase stability, and superconductivity of Janus WSeH and WSH. In addition, we investigated the contribution of the phonon linewidths from the phonon energy spectrum responsible for the superconductivity, and the electron-phonon coupling as a function of phonon wave vectors and modes. Previous work has examined hexagonal 2H and tetragonal 1T structures, but we found that neither is a ground state structure. The metastable 2H phase of WSeH is dynamically stable with Tc around 11.60K, similar to WSH. Compressive biaxial strain - the 2D equivalent of pressure - can stabilize the 1T structures of WSeH and WSH with Tc around 9.23K and 10.52K, respectively.

13 pages, 15 figures, to be published in Physical Review B

References in corpus (12)

• Electric Field Effect in Atomically Thin Carbon Films
• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Graphane: a two-dimensional hydrocarbon
• Co-existence of size-dependent and size-independent thermal conductivities in single layer black phosphorus
• Robust charge-density wave strengthened by electron correlations in monolayer 1T-TaSe2 and 1T-NbSe2
• General invariance and equilibrium conditions for lattice dynamics in 1D, 2D, and 3D materials
• Spin-Orbit Coupling in Transition Metal Dichalcogenide Heterobilayer Flat Bands
• Phonon-mediated superconductivity in two-dimensional hydrogenated phosphorus carbide: HPC${}_3$
• Charge density wave and spin $1/2$ insulating state in single layer 1T-NbS${}_2$
• Twistronics of Janus transition metal dichalcogenide bilayers
• Flat-band plasmons in twisted bilayer transition metal dichalcogenides

Cited by in corpus (6)

• Phase Stability and Superconductivity in Hydrogenated and Lithiated Janus GaXS2 (X = Ga, In) Monolayers
• Ab initio investigation on structural stability and phonon-mediated superconductivity in 2D-hydrogenated M2X (M= Mo, V, Zr; X=C, N) MXene monolayer
• Robust Ferrimagnetic Ground State and Suppressed Superconductivity in Two-Dimensional HC6
• Single layer clathrane: A potential superconducting two-dimensional (2D) hydrogenated metal borocarbide
• Stability, electronic disruption, and anisotropic superconductivity of hydrogenated trilayer metal tetraborides (MB${}_4$H; M=Be, Mg, Ca, Al)
• Theoretical prediction of Structural Stability and Superconductivity in Janus Ti2CSH MXene