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We present a computational investigation into the effects of chemical dopingwith 15 different elements on phase stability and superconductivity in theLaH10 structure. Most doping elements were found to induce softening of phononmodes, enhancing electron-phonon coupling and improving criticalsuperconducting temperature while weakening dynamical stability. Unlike thesedopants, Ce was found to extend the range of dynamical stability for LaH10 byeliminating the van Hove singularity near the Fermi level. The doped compound,La0.75Ce0.25H10, maintains high-temperature superconductivity. We alsodemonstrate that different Ce doping configurations in the LaH10 structure havea minimal effect on energetic stability and electron-phonon coupling strength.Our findings suggest that Ce is a promising dopant to stabilize LaH10 at lowerpressures while preserving its high-temperature superconductivity.

Effect of Doping on the phase stability and Superconductivity in LaH10