Related papers: Superconductivity in the doped polymerized fulleri…
Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate…
The thermal conductivity of polycrystalline semiconductors with type-I clathrate hydrate crystal structure is reported. Ge clathrates (doped with Sr and/or Eu) exhibit lattice thermal conductivities typical of amorphous materials.…
Inspired by the first boron-carbon (B-C) clathrate SrB$_3$C$_3$ and the ternary borohydride KB$_2$H$_8$ [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-principles density functional theory calculations of the…
Inspired by recent predictions of superconductivity in B-C framework clathrates, we employ density functional theory to explore potential superconductors among hexagonal hydride-substituted compounds with compositions XB$_8$C, XB$_7$C$_2$,…
We predict superconductivity for the carbon-boron clathrate SrB3C3 at 27-43 K for Coulomb pseudopotential (mu*) values between 0.17 and 0.10 using first-principles calculations with conventional electron-phonon coupling. Electrical…
We report a high-throughput ab-initio study of the thermodynamic and superconducting proper- ties of the recently synthesized XB$_3$C$_3$ clathrates. These compounds, in which boron and carbon form a sponge-like network of interconnected…
High temperature superconductivity in doped Mott insulators such as the cuprates contradicts the conventional wisdom that electron repulsion is detrimental to superconductivity. Because doped fullerene conductors are also strongly…
We discover superconductivity in alkali-earth metals doped phenanthrene. The superconducting critical temperatures \emph{T}$_c$ are 5.6 K and 5.4 K for Sr$_{1.5}$phenanthrene and Ba$_{1.5}$phenanthrene, respectively. The shielding fraction…
Hydrogen-rich compounds hold promise as high-temperature superconductors under high pressures. Recent theoretical hydride structures on achieving high-pressure superconductivity are composed mainly of H2 fragments. Through a systematic…
We designed and investigated a series of ternary hydride compounds MXH$_{12}$ crystallizing in the cubic $Pm\overline{3}m$ structure as potential rare-earth and alkaline-earth superconductors. First-principles calculations were performed on…
The uniquely characteristic macrostructures of binary hydrogen-clathrate compounds $M$H$_\textrm{n}$ formed at high pressure, a cage of hydrogens surrounding a central-atom host, is theoretically predicted in various studies to include…
We investigate the superconductivity of carbon compounds with a sodalite structure, which are similar to hydrogen compounds showing the high-temperature superconductivity. A systematic analysis by first-principles calculations is carried…
Alkali-doped fullerides A3C60 (A=K, Rb, Cs) are surprising materials where conventional phonon-mediated superconductivity and unconventional Mott physics meet, leading to a remarkable phase diagram as a function of the volume per C60…
A recent ab initio investigation of Na-C binary compounds under moderate pressures has uncovered a possible stable NaC$_4$ superconductor with an estimated critical temperature up to 41K. We revisit this promising binary system by…
We propose to raise the critical temperature $T_c$ for superconductivity in doped C$_{60}$ molecular crystals by increasing the electronic density of states at the Fermi level $N(E_F)$ and thus the electron-phonon coupling constant in…
The electron-conduction properties of fullerene chains are examined by first-principles calculations based on the density functional theory. The conductivity of the C$_{60}$ dimer is low owing to the constraint of the junction of the…
To establish the doping-dependent phase diagram in alkali-metal doped C$_{60}$, we synthesize Rb-doped C$_{60}$ samples with different stoichiometries by using the improved wet-chemistry technique. The doping levels determined from the…
Superconductivity in group IV semiconductors is desired for hybrid devices combining both semiconducting and superconducting properties. Following boron doped diamond and Si, superconductivity has been observed in gallium doped Ge, however…
We report the observation of superconductivity at 33 K in K-doped 1,2:8,9-dibenzopentacene (C30H18). This is higher than any Tc reported previously for an organic superconductor besides the alkali-metal doped C60. This finding provides an…
We explore both experimental and theoretical aspects of the superconducting properties in the distinctive layered caged compound, Ba$_{3}$Ir$_{4}$Ge$_{16}$. Our approach integrates muon spin rotation and relaxation ($\mu$SR) measurements…