Related papers: Stability-superconductivity map for compressed Na-…
Using the correlative method of unsymmetrized self-consistent field for strongly anharmonic crystals, the thermodynamic stability and the mechanism its loss is studied for crystals with various types of the chemical bond. The following…
We report evidence for multiband transport and an insulating low-temperature normal state in superconducting K$_{0.50}$Na$_{0.24}$Fe$_{1.52}$Se$_{2}$ with $T_{c}\approx 20$ K. The temperature-dependent upper critical field, $H_{c2}$, is…
Considerable excitement has been caused recently by the discovery that the binary boride system with stoichiometry MgB2 is superconducting at the remarkably high temperature of 39 K (1). This potentially opens the way to even higher Tc…
We perform first-principles electron-phonon calculations to evaluate the superconducting transition temperature $T_c$ for ternary superhard metals B$_2$C$_3$N and B$_4$C$_5$N$_3$. These materials are predicted to exhibit a wide distribution…
Superconductivity is traditionally viewed as a low-temperature phenomenon. Within the BCS theory this is understood to result from the fact that the pairing of electrons takes place only close to the usually two-dimensional Fermi surface…
Here we report targeted high-pressure synthesis of two novel high-$T_C$ hydride superconductors, $P6_3/mmc$-$ThH_9$ and $Fm\bar{3}m$-$ThH_{10}$, with the experimental critical temperatures ($T_C$) of 146 K and 159-161 K and upper critical…
A systematic ab initio search for low enthalpy phases of disilane (Si_2H_6) at high pressures was performed based on the minima hopping method. We found a novel metallic phase of disilane with Cmcm symmetry, which is enthalpically more…
Nanopapers based on graphene and related materials were recently proposed for application in heat spreader applications. To overcome typical limitations in brittleness of such materials, this work addressed the combination of graphite…
The specific heat C of a sintered polycrystalline sample of MgB2 with a bulk superconducting transition temperature Tc=36.7 K is measured as a function of the temperature (2-300 K) and magnetic field (0-16 T), together with magnetic…
Lattice compression has emerged as a fundamental tuning parameter for nickelate superconductivity. Pressure acts as a trigger to induce superconductivity in bulk Ruddlesden-Popper nickelates. For infinite-layer nickelate thin films,…
Motivated by advances in hydrogen-rich superconductors in the past decades, we conducted variable-composition structural searches in Mo-H binary system at high pressure. A new composition-pressure phase diagram of thermodynamically stable…
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…
Within the BCS theory of superconductivity we calculate the superconducting gap at zero temperature for metallic hydrogen-graphene system in order to estimate the superconducting critical temperature of quasi two dimensional highly oriented…
Recently, the films of the Ruddlesden-Popper (RP) nickelate superconductors, in which the (La,Pr)$_3$Ni$_2$O$_7$ system exhibits a remarkable transition temperature $T_c$ exceeding 40 K, were synthesized at ambient pressure. We…
Motivated by unexpected reports of a 26 K superconducting transition in elemental titanium at high pressure, we carry out an accurate ab-initio study of its properties to understand the rationale for this observation. The critical…
For Y$_2$C$_3$ with a superconducting critical temperature (T$_c$) $\sim$18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry $I$-$43d$ structure due to C dimer wobbling motion and electronic instability…
We show that the previously unreported ternary $\sigma$-phase material Nb$_{20.4}$Ru$_{5.7}$Ge$_{3.9}$ is a superconductor with a critical temperature of 2.2 K. Temperature-dependent magnetic susceptibility, resistance, and specific heat…
We study new superconductor candidates in functionalized MXenes Zr$_2$NS$_2$, Zr$_2$NCl$_2$, and Sc$_2$NCl$_2$ with $\textit{ab initio}$ calculations based on density functional theory for superconductors (SCDFT). The superconducting…
The effect of hydrostatic pressure and partial Na substitution on the normal-state properties and the superconducting transition temperature ($T_c$) of K$_{1-x}$Na$_x$Fe$_2$As$_2$ single crystals were investigated. It was found that a…
We investigate the development of superconductivity in graphene when the Fermi level becomes close to one of the Van Hove singularities of the electron system. The origin of the pairing instability lies in the strong anisotropy of the e-e…