Related papers: First-Principles Calculation of Superconducting $T…
For half a century after the discovery of superconductivity, materials exploration for better superconductors proceeded without knowledge of the underlying mechanism. The 1957 BCS theory cleared that up: the superconducting state occurs due…
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…
Recently a relationship between the Debye temperature $\Theta_D$ and the superconducting transition temperature $T_c$ of conventional superconductors has been proposed [npj Quantum Materials $\mathbf{3}$, 59 (2018)]. The relationship…
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…
The unconventional superconductivity in the noncentrosymmetric LaNiC$_2$, and its evolution with pressure, is analyzed basing on the {\it ab initio} computations and the full Eliashberg formalism. First principles calculations of the…
For a given crystal structure, say body-centred-cubic, the many-body Hamiltonian in which nuclear and electron motions are to be treated from the outset on the same footing, has parameters, for the elements, which can be classified as (i)…
Using density functional theory calculations we show that the recently-synthesized, superhard diamond-like BC$_5$ is superconducting with a critical temperature of the same order than that of MgB$_2$. The average electron-phonon coupling is…
First-principles calculations are performed for electronic structures of two high pressure phases of solid selenium, $\beta$-Po and bcc. Our calculation reproduces well the pressure-induced phase transition from $\beta$-Po to bcc observed…
We present a comprehensive first-principles investigation of a hypothetical cubic Pm-3m phase of the ternary hydride NaAlH3, focusing on its lattice dynamics, electronic structure, and electron-phonon-mediated superconducting properties at…
The superconducting transition temperatures, $T_{\mathrm{c}}$, of La$_{4}$Ni$_{3}$O$_{10+\delta}$($\delta$ = 0.04 and -0.01) were determined under various pressures up to 124.9 GPa by electrical resistance measurements with a diamond anvil…
We present a new technique for measuring the critical temperature Tc in the high pressure, high Tc electron-phonon-driven superconducting hydrides. This technique does not require connecting leads to the sample. In the multiphonon region of…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
Pressure dependence of superconducting transition temperature $T_{\rm c}$ has been determined through the DC magnetic measurements under pressure up to $P$=10 GPa for $\beta$-pyrochlore oxides AOs$_2$O$_6$ with A=Cs ($T_{\rm c}$=3.3 K), Rb…
Using ab initio methods, we have studied the electron-phonon interaction in compressed, body-centered cubic (bcc) yttrium, which is predicted to be stable at 280 GPa [Melsen et al, Phys. Rev. B 48, 15574 (1993)]. We find that compressed,…
The extreme pressures required to stabilize the recently discovered superhydrides represent a major obstacle to their practical application. In this paper, we propose a novel route to attain high-temperature superconductivity in hydrides at…
High critical temperature (T$_c$) superconductor has a great potential in many industrial applications. However, discovering a compound having high T$_c$ is still remaining a big challenge for experimental approach due to time-consuming and…
It is shown that the famous Allen -- Dynes asymtotic limit for superconducting transition temperature in very strong coupling region $T_{c}>\frac{1}{2\pi}\sqrt{\lambda}\Omega_0$ (where $\lambda\gg 1$ - is Eliashberg - McMillan electron -…
A stability criterion is worked out for the superconducting phase. The validity of a prerequisite, established previously for persistent currents, is thereby confirmed. Temperature dependence is given for the specific heat and concentration…
We study superconductivity in Boron using first-principles LAPW calculations, the rigid-muffin-tin approximation and the McMillan theory. Our results point to an electron-phonon mechanism producing transition temperatures near 10K at high…
Predicting the transition temperature, Tc, of a superconductor from Periodic Table normal state properties is regarded as one of the grand challenges of superconductivity. By studying the correlations of Periodic Table properties with known…