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Article
Open AccessFull-bandwidth anisotropic Migdal-Eliashberg theory and its application to superhydrides
Migdal-Eliashberg theory is one of the state-of-the-art methods for describing conventional superconductors from first principles. However, widely used implementations assume a constant density of states aroun...
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Article
Open AccessTemperature and quantum anharmonic lattice effects on stability and superconductivity in lutetium trihydride
In this work, we resolve conflicting experimental and theoretical findings related to the dynamical stability and superconducting properties of ...
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Article
Open AccessQuantum lattice dynamics and their importance in ternary superhydride clathrates
The quantum nature of the hydrogen lattice in superconducting hydrides can have crucial effects on the material’s properties. Taking a detailed look at the dynamic stability of the recently predicted BaSiH8 phase...
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Article
Open AccessIn-silico synthesis of lowest-pressure high-Tc ternary superhydrides
We report the theoretical prediction of two high-performing hydride superconductors BaSiH8 and SrSiH8. They are thermodynamically stable above pressures of 130 and 174 GPa, respectively, and metastable below that...
