@techreport{9c9eed9a1bdf4719b3108d9e8eb3dd3a,

title = "In-silico synthesis of lowest-pressure high-Tc ternary superhydrides",

abstract = " We report the theoretical prediction of two novel high-performing hydride superconductors BaSiH$_8$ and SrSiH$_8$. They are thermodynamically stable above pressures of $130$ and $174\,\text{GPa}$, respectively, and metastable below that. Employing anharmonic phonon calculations, we determine the minimum pressures of dynamical stability to be around $3\,\text{GPa}$ for BaSiH$_8$ and $27\,\text{GPa}$ for SrSiH$_8$, and using the fully anisotropic Migdal-Eliashberg theory, we predict $T_\text{c}$'s around $71$ and $126\,\text{K}$, respectively. We also introduce a method to estimate the lowest pressure of synthesis, based on the calculation of the enthalpy barriers protecting the BaSiH$_8$ $Fm\bar{3}m$ structure from decomposition at various pressures. This $kinetic$ pressure threshold is sensibly higher than the one based on $dynamic$ stability, but gives a much more rigorous limit for synthesizability. ",

keywords = "cond-mat.supr-con, cond-mat.mtrl-sci",

author = "Roman Lucrezi and Cataldo, {Simone Di} and Linden, {Wolfgang von der} and Lilia Boeri and Christoph Heil",

note = "8 pages, 6 figures",

year = "2022",

month = may,

day = "25",

language = "English",

series = "npj Computational Materials",

publisher = "Nature publishing group",

number = "119",

type = "WorkingPaper",

institution = "Nature publishing group",

}