XB12 compounds formed from interconnected B12 icosahedra are predicted to be dynamically stable at ambient pressure and superconducting with Tc up to 42 K when the guest atom X is mono- or trivalent.
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Anisotropic Migdal-Eliashberg calculations on ab initio inputs show h-HfRuAs is a strong-coupling phonon-mediated superconductor with anisotropic s-wave gap and Tc matching experimental magnitude.
Ab initio EPI and BTE study reports ZPR of 29-51 meV, 300 K mobilities of 100-573 cm2/Vs under different RTAs, and zT drop to ~0.08 when EPI included for Mg2Si and Ca2Si.
citing papers explorer
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Ambient-Pressure Superconductivity from Boron Icosahedral Superatoms
XB12 compounds formed from interconnected B12 icosahedra are predicted to be dynamically stable at ambient pressure and superconducting with Tc up to 42 K when the guest atom X is mono- or trivalent.
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Strong-coupling anisotropic superconductivity in hexagonal HfRuAs from anisotropic Migdal-Eliashberg theory
Anisotropic Migdal-Eliashberg calculations on ab initio inputs show h-HfRuAs is a strong-coupling phonon-mediated superconductor with anisotropic s-wave gap and Tc matching experimental magnitude.
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Band gap renormalization, carrier mobility, and transport in Mg$_{2}$Si and Ca$_{2}$Si: \textit{Ab initio} scattering and Boltzmann transport equation study
Ab initio EPI and BTE study reports ZPR of 29-51 meV, 300 K mobilities of 100-573 cm2/Vs under different RTAs, and zT drop to ~0.08 when EPI included for Mg2Si and Ca2Si.