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In crystalline materials, electron-phonon coupling (EPC) is a ubiquitous many-body interaction that drives conventional Bardeen-Cooper-Schrieffer superconductivity. Recently, in a new kagome metal $\rm{CsV_3Sb_5}$, superconductivity that…
Based on the first-principles density functional theory electronic structure calculation, we investigate the possible phonon-mediated superconductivity in arsenene, a two-dimensional buckled arsenic atomic sheet, under electron doping. We…
The discovery of superconductivity at 80 K under high pressure in La$_3$Ni$_2$O$_7$ presents the groundbreaking confirmation that high-$T_c$ superconductivity is a property of strongly correlated materials beyond cuprates. We use density…
We theoretically consider temperature and density-dependent electron-phonon interaction induced many-body effects in the two-dimensional (2D) metallic carriers confined on the surface of the 3D topological insulator (e.g. Bi$_2$Se$_3$). We…
We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…
We clarify the pairing mechanism of high-$T_c$ superconductivity in bilayer La$_3$Ni$_2$O$_7$ under high pressure by employing the static auxiliary field Monte Carlo approach to simulate a minimal effective model that contains local…
A first-principles study of the electronic and superconducting properties of the Ni$_2$VAl Heusler compound is presented. The electron-phonon coupling constant of $\lambda_{ep}$ = 0.68 is obtained, which leads to a superconducting…
We show from a bond valence sum correlation that very high superconducting $ T_{c} $ values should be found in optimally hole-doped infinite-layer ACuO$ _{2} $ cuprates - up to 160~K for A = Ba. The projected increase in $ T_{c} $ across…
Predicting the critical temperature $T_c$ of new superconductors is a notoriously difficult task, even for electron-phonon paired superconductors for which the theory is relatively well understood. Early attempts by McMillan and Allen and…
Coupling between $\sigma$-bonding electrons and phonons is generally very strong. To metallize $\sigma$-electrons provides a promising route to hunt for new high-T$_c$ superconductors. Based on this picture and first-principles density…
The ferroelectric degenerate semiconductor Sn$_{1-\delta}$Te exhibits superconductivity with critical temperatures, $T_c$, of up to 0.3 K for hole densities of order 10$^{21}$ cm$^{-3}$. When doped on the tin site with greater than $x_c$ $=…
In conventional superconductors, phonons glue two electrons with opposite spins to form Cooper pairs and condensation of these pairs leads to the superconductivity. Identifying the underlying mechanism of the high temperature…
Although the cuprate high-temperature superconductors were discovered already 1986 the origin of the pairing mechanism remains elusive. While the doped compounds are superconducting with high transition temperatures $T_{c}$ the undoped…
We design, from first principles calculations, a novel family of thallium halide-based compounds as candidates for new high temperature superconductors, whose superconductivity is mediated by the recently proposed mechanism of non-local…
We present a comprehensive first--principles study of the structural stability and superconducting behavior of Li$_2$PdH$_2$ under high pressure. Using random structure searching and phonon calculations, we identify a pressure--induced…
We present a brief review of some recent work on the problem of highest achievable temperature of superconducting transition $T_c$ in electron-phonon systems. The discovery of record-breaking values of $T_c$ in quite a number of hydrides…
Superconductivity in the recently proposed ground-state structures of atomic metallic hydrogen is investigated over the pressure range 500 GPa to 3.5 TPa. Near molecular dissociation, the electron--phonon coupling $\lambda$ and renormalized…
The discovery of high critical temperature (Tc) superconductivity in pressurized La$_3$Ni$_2$O$_7$ has ignited renewed excitement in the search of novel high-Tc superconducting compounds with 3d transition metals. Compared to other…
The discovery of superconductivity (SC) with critical temperature $T_c$ above the boiling point of liquid nitrogen in pressurized La$_3$Ni$_2$O$_{7}$ has sparked a surge of exploration of high-$T_c$ superconductors in the Ruddlesden-Popper…
We have carried out high pressure experiment on the pressure-induced superconductor CeIrSi$_3$ without inversion center. The electrical resistivity and ac heat capacity were measured in the same run for the same sample. The critical…