Related papers: Superconductivity of Mo3Sb7 from first principles
The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indicate the boron-doped diamond is a phonon mediated…
The discovery of a superconducting phase in sulfur hydride under high pressure with a critical temperature above 200 K has provided a new impetus to the search for even higher $T_c$. Theory predicted and experiment confirmed that the phase…
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…
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…
Using the variational Monte-Carlo method we find that a relatively weak long-range electron-phonon interaction induces a d-wave superconducting state of doped Mott-Hubbard insulators and/or strongly-correlated metals with a condensation…
Motivated by the observation of superconductivity in SrTiO$_3$ and Bi, we analyze phonon-mediated superconductivity in three-dimensional systems at low carrier density, when the chemical potential $\mu$ (equal to Fermi energy at $T=0$) is…
Boron in MgB_2 forms layers of honeycomb lattices with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with…
The effects of structural quantum criticality on the strong-coupling superconductivity of (Sr$_{1-x}$Ca$_x$)$_3$Rh$_4$Sn$_{13}$ have been investigated via electrical resistivity and specific heat measurements. We demonstrate that the…
Light-element compounds hold great promise of high critical temperature superconductivity judging from the theoretical perspective. Hydrogen-rich material, benzene, is such a kind of candidate but also an organic compound. A series of…
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.…
The thermodynamic properties of the superconducting state in Sulphur under the pressure at 160 GPa were determined. It has been shown that: (i) the critical value of the Coulomb pseudopotential is equal to 0.127; (ii) the critical…
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…
We investigate the electronic background as well as the O2-O3 mode at 330 cm^-1 of highly doped YbBa2Cu3O7-delta in B1g symmetry. Above the critical temperature Tc the spectra consist of an almost constant electronic background and…
We present a comparison of electron-phonon interaction in NbB_2 and MgB_2, calculated using full-potential, density-functional-based methods in P6/mmm crystal structure. Our results, described in terms of (i) electronic structure, (ii)…
A General Theory of Superconductivity with points of view differing from those of the BCS Theory is presented in two parts. In the first part, a general equation for the superconductivity is obtained; based on the stable pairing of two…
We investigate theoretically the superconducting state of the undoped Fe-based superconductor ThFeAsN. Using input from $ab~initio$ calculations, we solve the Fermi-surface based, multichannel Eliashberg equations for Cooper-pair formation…
K$_3$-picene is a superconducting molecular crystal with critical temperature T$_c=7$K or 18K, depending on preparation conditions. Using density functional theory we show that electron-phonon interaction accounts for T$_c ~ 3-8$ K. The…
We report on the synthesis and on basic superconducting properties of a completely new Mo_2Re_3B ternary boride. The crystal structure of the Mo_2Re_3B compound is characterised by Pmmm space group and the cell parameters: a=11.626 A,…
Due to its low atomic mass hydrogen is the most promising element to search for high-temperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). The measurement of a…
We analyze superonductivity in MgB$_2$ observed below $T_c=39$ K resulting from electron-phonon coupling involving a mode at $\hbar \omega_1 = 24$ meV and most importantly the in-plane B-B $E_{2g}$ vibration at $\hbar \omega_2=67$ meV. The…