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Density-functional calculations are presented for high-pressure structural phases of S and Se. The structural phase diagrams, phonon spectra, electron-phonon coupling, and superconducting properties of the isovalent elements are compared.…
Milestone experimental discovery of superconductivity above 200 K in highly-compressed sulphur hydride by Drozdov (Nature 525, 73 (2015)) sparked experimental and theoretical investigations of metallic hydrides. Since then, a dozen of…
The superconducting properties of two recently synthesized ternary silicides with unit formula $X_4$CoSi ($X=$ Nb, Ta) are investigated through \textit{ab initio} calculations combined with Eliashberg theory. Interestingly, their crystal…
The electron-doped silicene under the influence of the biaxial tensile strain is predicted to be the phonon-mediated superconductor. By using the Eliashberg formalism, we investigate the thermodynamic properties of the superconducting…
To study the possible mechanism of superconductivity in Na$_{0.35}$CoO$_2$, we examine the interaction between all the relevant optical phonons (breathing and shear phonons) and $t_{2g}(a_{1g}+e_g')$-electrons of Co-ions, and study the…
When the electron-phonon coupling is quadratic in the phonon coordinates, electrons can pair to form bipolarons due to phonon zero-point fluctuations, a purely quantum effect. We study superconductivity originating from this pairing…
Molybdenum ditelluride (MoTe$_2$) is attracting considerable interest since it is the archetypal type-II Weyl semimetal and a candidate for topological superconductivity. We investigate the superconducting phase diagram of two MoTe$_2$…
In this work, we explore the possible emergence of superconducting phases in a multi-Weyl semimetal. In particular, we show that the presence of a pair of Weyl nodes with chirality $|\nu| \ge 1$ leads to an effective description of the…
Using Migdal-Eliashberg theory implemented in Electron Phonon Wannier (EPW) code, we have investigated anisotropic superconductivity in a ternary boride $\mathrm{Ta(MoB)_2}$. It is a single-gap, anisotropic, phonon-mediated superconductor…
A Weyl semimetal with strong electron-phonon interaction can show axionic coupling in its insulator state at low temperatures, owing to the formation of a charge density wave (CDW). Such a CDW emerges in the linear chain compound Weyl…
Linear response methods are applied to identify the increase in electron-phonon coupling in elemental yttrium that is responsible for its high superconducting critical temperature Tc, which reaches nearly 20 K at 115 GPa. While the…
We analyze fulleride superconductivity at experimental doping levels, treating the electron-electron and electron-phonon interactions on an equal footing, and establish the existence of novel physics which helps explain the unusually high…
Very recently a new family of layered materials, containing BiS2 planes was discovered to be superconducting at temperatures up to Tc=10 K, raising questions about the mechanism of superconductivity in these systems. Here, we present…
Recently, superconductivity was discovered at very low densities in slightly misaligned graphene multilayers. Surprisingly, despite extremely low electronic density (about $10^{-4}$ electrons per unit cell), these systems realize…
We investigate three dimensional anharmonic phonons in tetrahedral symmetry and superconductivity mediated by these phonons. Three dimensional anharmonic phonon spectra are calculated directly by solving Schr\"odinger equation and the…
Discovery of high-temperature superconductivity in hydrogen-rich compounds has fuelled the enthusiasm for finding materials with more promising superconducting properties among hydrides. However, the ultrahigh pressure needed to synthesize…
We present a workflow that iteratively combines \textit{ab-initio} calculations with a machine-learning (ML) guided search for superconducting compounds with both dynamical stability and instability from imaginary phonon modes, the latter…
Utilizing Migdal-Eliashberg theory of superconductivity within the first-principles calculations, we work out the role of electron-phonon coupling (EPC) and anisotropic superconducting properties of a recently discovered [Appl. Phys. Lett.…
Developing a theory of high-temperature superconductivity in copper oxides is one of the outstanding problems in physics. It is a challenge that has defeated theoretical physicists for more than twenty years. Attempts to understand this…
Compressed hydrogen-rich compounds have received extensive attention as appealing contenders for superconductors, and further challenges are maintaining the stability and superconductivity of hydrides at lower pressures. In this work, we…