Related papers: Efficient method to calculate the electron-phonon …
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…
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…
The lattice dynamical properties of Li$_x$BC are calculated for several values of $x$ using density functional perturbation theory. We find that the electron-phonon coupling parameter $\lambda$ increases monotonically with decreasing $x$ to…
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…
For an electron gas with delta-function attraction we investigate the crossover from weak- to strong-coupling supercoductivity in two and three dimensions. We derive analytic expressions for the stiffness of phase fluctuations and set up…
Eliashberg - McMillan theory of superconductivity is essentially based on the adiabatic approximation. Small parameter of perturbation theory is given by $\lambda\frac{\Omega_0}{E_F}\ll 1$, where $\lambda$ is the dimensionless electron -…
The experimental determination of the superconducting transition requires the observation of the emergence of zero-resistance and perfect diamagnetism state. Based on the close relationship between superconducting transition temperature…
The 2014-2015 prediction, discovery, and confirmation of record high temperature superconductivity above 200K in H$_3$S, followed by the 2018 extension to superconductivity in the 250-280K range in lanthanum hydride, marks a new era in the…
This study presents the first-principles phonon calculations to understand the experimental thermal expansion ($\alpha(T)$) and lattice thermal conductivity ($\kappa_{L}$) of CoSi at high temperature region. Phonon dispersion is computed…
We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we…
Using full-potential, density-functional-based methods we have studied electron-phonon interaction in ZrB2 and TaB2 in P6/mmm crystal structure. Our results for phonon density of states and Eliashberg function show that the electron-phonon…
A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…
A new layered compound LaOTlF2 is designed and investigated using first-principles calculations in this work. The parent compound is an insulator with an indirect band gap of 2.65 eV. Electron-doping of the parent compound makes the…
Phonon-mediated superconductivity is conventionally thought to be capped at a transition temperature $T_{\mathrm{c}}$ no larger than roughly one-tenth of the phonon frequency $\Omega$, a bound rooted in the breakdown of Migdal-Eliashberg…
We use a first-principles based self-consistent momentum-resolved density fluctuation (MRDF) model to compute the combined effects of electron-electron and electron-phonon interactions to describe the superconducting dome in the correlated…
The femtosecond optical pump-probe technique was used to study dynamics of photoexcited electrons and coherent optical phonons in transition metals Zn and Cd as a function of temperature and excitation level. The optical response in time…
The electronic structure, phonons, electron-phonon coupling, and superconductivity are theoretically studied in noncentrosymmetric superconductor ThCoC$_2$ as a function of pressure, in the pressure range 0 - 20 GPa. We found that the…
We examine the nature of the transitions between the normal and the superconducting branches of superconductor-graphene-superconductor Josephson junctions. We attribute the hysteresis between the switching (superconducting to normal) and…
Two recent experiments [M. Somayazulu $et$ $al$., Phys. Rev. Lett. ${\bf 122}$, 027001 (2019) and A. P. Drozdov $et$ $al$., Nature ${\bf 569}$, 528 (2019)] reported the discovery of superconductivity in the fcc phase of LaH$_{10}$ at a…
All solid phases of bismuth under pressure, but one, have been experimentally found to superconduct. From Bi-I to Bi-V, avoiding Bi-IV, they become superconductors and perhaps Bi-IV may also become superconductive. To investigate the…