Superconductivity in monolayer Ba${}_2$N electride: a first-principles study

Abstract

The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and superconducting properties of the two-dimensional electride Ba${}_2$N in the monolayer limit. Our results show that monolayer Ba${}_2$N has a low work function of 3.0 eV and a predicted superconducting transition temperature ($T_c$) of 3.4 K. The superconductivity can be further improved with the tensile strain, which results from the increase of density of states at the Fermi level as well as the enhanced coupling between inner-layer electrons and phonons. Remarkably, at the 4$\%$ tensile strain, the acoustic branches have noticeable softening at the K point of Brillouin zone and the superconducting $T_c$ can reach 10.8 K. The effect of lattice strain on the electron transfer from the superficial region to the inner-layer region of monolayer Ba${}_2$N may also apply to other electride materials and influence their physical properties.

arXiv comment8 pages, 9 figures

References in corpus (25)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Phonons and related properties of extended systems from density-functional perturbation theory
• EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
• Interface induced high temperature superconductivity in single unit-cell FeSe films on SrTiO3
• Evidence of Ising pairing in superconducting NbSe${}_2$ atomic layers
• High-temperature interface superconductivity between metallic and insulating cuprates
• Tuning Ising superconductivity with layer and spin-orbit coupling in two-dimensional transition-metal dichalcogenides
• Gate-induced Superconductivity in atomically thin MoS2 crystals
• Metallic ground state in an ion-gated two-dimensional superconductor
• Two-dimensional superconductivity at a Mott-Insulator/Band-Insulator interface: LaTiO3/SrTiO3
• Visualizing Exotic Orbital Texture in the Single-Layer Mott Insulator 1T-TaSe2
• Experimental Demonstration of an Electride as a 2D Material
• Macroscopic Superconducting Current through a Silicon Surface Reconstruction with Indium Adatoms: Si(111)-(R7$\times$R3)-In
• Electric field control of disorder-tunable superconductivity and the emergence of quantum metal at an oxide interface
• Electrostatically Induced Superconductivity at the Surface of WS${}_2$
• Enhanced superconductivity by strain and carrier-doping in borophene: A first principles prediction
• Enhanced Superconductivity and Suppression of Charge-density Wave Order in 2H-TaS${}_2$ in the Two-dimensional Limit
• Hydrogen-induced high-temperature superconductivity in two-dimensional materials: Example of hydrogenated monolayer MgB${}_2$
• Evolution of multi-gap superconductivity in the atomically thin limit: Strain-enhanced three-gap superconductivity in monolayer MgB${}_2$
• Electronic, Dielectric, and Plasmonic Properties of Two-Dimensional Electride Materials X${}_2$N (X=Ca, Sr): A First-Principles Study
• Phonon-assisted magnetic Mott-insulating state in the charge density wave phase of single-layer 1TNbSe2
• Two-dimensional topological superconductivity candidate in van der Waals layered material
• Electron-phonon interaction in Ca2N monolayer: intrinsic mobility of electrene
• Enhanced superconductivity in bilayer PtTe${}_2$ by alkali-metal intercalations
• Transport and Capacitance properties of Charge Density Wave in few layer 2H-TaS2 Devices

Cited by in corpus (3)

• Two-dimensional non-van der Waals niobium nitride nanosheets with high-temperature two-gap superconductivity
• Ferroelectricity in oxygen-terminated 2D carbides of lanthanide elements
• Ternary nickel hydrides: a new platform for unconventional superconductivity and quantum magnetism