相关论文: First Principles Calculations of Superconducting C…

We calculate superconducting transition temperatures ($T_{\rm c}$) in sulfur hydrides H$_{2}$S and H$_{3}$S from first principles using the density functional theory for superconductors. At pressures of $\lesssim$150 GPa, the high values of…

The single crystal of ThCr2Si2-type BaPd2As2 was successfully prepared by a self-flux method, and the crystal structure was characterized by X-ray diffraction method with the lattice parameters a = 4.489(2) {\AA} and c = 10.322(3) {\AA}.…

We report on the discovery of superconductivity in the previously unknown compound Ta$_4$Rh$_2$C$_{1-\delta}$. Ta$_4$Rh$_2$C$_{1-\delta}$ crystallizes in the $\eta$-carbide structure type, in the cubic space group $Fd\bar{3}m$ (No.227) with…

To synthesize a new superconductor which has a critical temperature, Tc, exceeding the room temperature, one needs to know what chemical components to start with. This chapter presents analysis of experimental data which allow one to draw a…

By taking advantage of a stability criterion established recently, the critical temperature $T_c$ is reckoned with help of the microscopic parameters, characterising the normal and superconducting electrons, namely the independent-electron…

Two principles govern the critical temperature for superconducting transitions: (1)~intrinsic strength of the pair coupling and (2)~effect of the many-body environment on the efficiency of that coupling. Most discussions take into account…

We report the synthesis and physical properties of the single crystals of TaC, which are proposed to hold topological band structure as a topological superconductor (TSC) candidate. Magnetization, resistivity and specific heat measurements…

In this study, we applied ab initio $T_\mathrm{c}$ calculations to compounds with the ThCr$_2$Si$_2$-type structure to search for BCS superconductor candidates. From the 1883 compounds registered in the Inorganic Crystal Structure Database,…

Superconductivity is observed with critical temperatures near 9K in the tetragonal compound Mo5PB2. This material adopts the Cr5B3 structure type common to supercondcuting Nb5Si3-xBx, Mo5SiB2, and W5SiB2, which have critical temperatures of…

High transition temperature (high-Tc) superconductivity is associated with layered crystal structures. This work considers superconductivity in ultra-thin crystals (of thickness equal to the transverse structural periodicity distance d for…

We perform calculations to obtain the $H_{c2}$ curve of high temperature superconductors (HTSC). We consider explicitly the fact that the HTSC possess intrinsic inhomogeneities by taking into account a non uniform charge density $\rho(r)$.…

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…

The recent discovery of superconductivity at 190~K in highly compressed H$_{2}$S is spectacular not only because it sets a record high critical temperature, but because it does so in a material that appears to be, and we argue here that it…

Using a mean-field BCS-like approach on the bidimensional extended Hubbard Hamiltonian we calculate the superconducting transition temperature Tc as a function of the hole content nh, for the d-wave and extended-s wave gap symmetries. To…

With the help of the McMillan formula and virtual crystal model, we predict $T_c$ may exceed 34 K in a beryllium-based alloy with a specific composition, reminiscent of $T_c$ = 35 K in the first cuprate superconductor. This may similarly…

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…

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 review is given for the theoretical framework to give a reliable prediction of the superconducting transition temperature Tc from first principles, together with a practical strategy for its application to actual materials with…

High-temperature superconductivity occurs in strongly correlated materials such as copper oxides and iron-based superconductors. Numerous experimental and theoretical works have been done to identify the key parameters that induce…

Recent research on compressed binary hydrides have unveiled the potential for achieving superconductivity at near-room-temperature. Nevertheless, the available decision-making procedures standing behind the selection of constituent elements…