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Discovery of high-temperature superconductivity in hydrogen-rich compounds has fuelled the enthusiasm for finding materials with more promising superconducting properties among hydrides. However, the ultrahigh pressure needed to synthesize and maintain high-temperature hydrogen-rich superconductors hinders the experimental investigation of these materials. For practical applications, it is also highly desired to find more hydrogen-rich materials that superconduct at high temperatures but under relatively lower pressures. Based on first-principles density functional theory, we calculate the electronic and phonon band structures for a ternary borohydride formed by intercalating BH$_4$ tetrahedrons into a face-centered-cubic potassium lattice, KB$_2$H$_8$. Remarkably, we find that this material is dynamically stable and one of its $sp^3$-hybridized $sigma$-bonding bands is metallized (i.e. partially filled) above a moderate high pressure. This metallized $sigma$-bonding band couples strongly with phonons, giving rise to a strong superconducting pairing potential. By solving the anisotropic Eliashberg equations, we predict that the superconducting transition temperature of this compound is 134-146 K around 12 GPa.
If history teaches us anything, it is that the next breakthrough in superconductivity will not be the result of surveying the history of past breakthroughs, as they have almost always been a matter of serendipity resulting from undirected exploration
Subsequent to our recent report of SDW type transition at 190 K and antiferromagnetic order below 20 K in EuFe2As2, we have studied the effect of K-doping on the SDW transition at high temperature and AF order at low temperature. 50% K doping suppres
The discoveries of high-temperature superconductivity in H3S and LaH10 have excited the search for superconductivity in compressed hydrides. In contrast to rapidly expanding theoretical studies, high-pressure experiments on hydride superconductors ar
In this work, we show that the same theoretical tools that successfully explain other hydrides systems under pressure seem to be at odds with the recently claimed conventional room temperature superconductivity of the carbonaceous sulfur hydride. We
Pressure-stabilized hydrides are a new rapidly growing class of high-temperature superconductors which is believed to be described within the conventional phonon-mediated mechanism of coupling. Here we report the synthesis of yttrium hexahydride Im3m