Hydrogenated trilayer MB4H compounds are dynamically stable with boron-dominated metallic bands and electron-phonon coupling strengths that yield multi-gap superconductivity with Tc up to 64 K for CaB4H.
Optimization algorithm for the generation of oncv pseudopotentials.Computer Physics Communications, 196:36–44
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Stability, electronic disruption, and anisotropic superconductivity of hydrogenated trilayer metal tetraborides (MB$_{4}$H; M=Be, Mg, Ca, Al)
Hydrogenated trilayer MB4H compounds are dynamically stable with boron-dominated metallic bands and electron-phonon coupling strengths that yield multi-gap superconductivity with Tc up to 64 K for CaB4H.