Nuclear quantum effects minimally modify the electronic DOS in H3S but substantially alter phonon modes via S-H bond stiffening, indicating that deuteration reduces Tc mainly through phonons rather than electronics.
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First-principles calculations with anharmonic corrections predict metastable metallic phases of RbH12 stable at pressures as low as 10 GPa exhibiting superconductivity with Tc between 46 and 111 K.
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Proton Quantum Effects in H$_3$S Electronic Structure: A Multicomponent DFT study via Nuclear-Electronic Orbital Method
Nuclear quantum effects minimally modify the electronic DOS in H3S but substantially alter phonon modes via S-H bond stiffening, indicating that deuteration reduces Tc mainly through phonons rather than electronics.
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Superconductivity in RbH$_{12}$ at low pressures: an \emph{ab initio} study
First-principles calculations with anharmonic corrections predict metastable metallic phases of RbH12 stable at pressures as low as 10 GPa exhibiting superconductivity with Tc between 46 and 111 K.