Nanoscale · 2022 · 22 citations · 42 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsDensity Functional TheoryElectron-phonon InteractionsElectronic Band StructureStrongly Correlated Electron SystemsSuperconducting MaterialsSurface PhysicsAnisotropyBiaxial StrainLow-temperature SuperconductorsMigdal-eliashberg TheorySuperconducting Critical TemperatureSuperconducting GapSuperconductivity In Low-dimensional SystemsWannier Functions
Mo 2 N single layer is shown to be an electride and superconductor. The simulation points to T c = 24.7 K, a record high transition temperature for this class of material at ambient pressure. Tension induces multigap superconductivity.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text