Related papers: Efficient method to calculate the electron-phonon …
It is shown that one can obtain quantitatively accurate values for the superconducting critical temperature within a Hamiltonian framework. This is possible if one uses a renormalized Hamiltonian that contains an attractive…
The electron-phonon coupling of a theoretically devised carbon phase made by assembling the smallest fullerenes C$_{20}$ is calculated from first principles. The structure consists of C$_{20}$ cages in an {\it fcc} lattice interlinked by…
The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…
A theory of electron-phonon mediated superconductivity requires the knowledge of full phonon spectrum to calculate superconducting transition temperature, T$_c$. However, there is no experimental technique which can measure phonon spectrum…
We present a study of the electronic structure, phonon frequencies and electron-phonon coupling in hcp Sc under pressure. The electron-phonon coupling constant is found to increase steadily with pressure in the hcp phase, until the pressure…
We show that the superconducting transition temperature Tc of FeSe1-xTex can be computed to reasonable values in a modified McMillan approach in which the electron-phonon coupling is amplified by the antiferromagnetism and the out-of-plane…
In several superconductors above the superconducting transition temperature Tc, the electrical resistivity is of the form {\rho} =AT^2. We show that there exists an empirical relation between Tc and A when both vary with an external…
The discovery of record - breaking values of superconducting transition temperature $T_c$ in quite a number of hydrides under high pressure was an impressive demonstration of capabilities of electron - phonon mechanism of Cooper pairing.…
Phonon spectrum of many superconducting compounds and, especially, high Tc hydrides, is broad and rather complicated ,because of presence of high frequency optical modes. In order to analyze an interplay of optical and acoustic phonon…
Ab initio linear-response calculations are reported of the phonon spectra and the electron-phonon interaction for several transition metal carbides and nitrides in a NaCl-type structure. For NbC, the kinetic, optical, and superconducting…
The electronic structure, lattice dynamics, and electron-phonon coupling (EPC) of the newly discovered (Ba,K)SbO$_3$ superconductors are investigated by first-principles calculations. The EPC of (Ba,K)SbO$_3$ is significantly enhanced by…
Electron-phonon coupling, being one of the most important parameters governing the material evolution after ultrafast energy deposition, yet remains the most unexplored one. In this work, we applied the dynamical coupling approach to…
In this paper, we present a simple method to model the curvature activated phonon softening in a 2D superconducting layer. The superconducting transition temperature Tc in the case of a 2D rectangular sheet, a hollow cylinder and a hollow…
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…
Coupling between electrons and phonons (lattice vibrations) drives the formation of the electron pairs responsible for conventional superconductivity. The lack of direct evidence for electron-phonon coupling in the electron dynamics of the…
The Debye temperature, T${_\theta}$=(h/2${\pi}$)/k${_B}$$\omega$$_\theta$, where the Debye frequency $\omega$$_\theta$ is integrated characteristic frequency of full phonon spectrum, $\alpha$$^2$($\omega$)F($\omega$). In the BCS theory,…
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…
A recent experiment by Shimizu et al. has provided evidence of a superconducting phase in hcp Fe under pressure. To study the pressure-dependence of this superconducting phase we have calculated the phonon frequencies and the…
Superconducting transition temperature $T_C$ of some of the cubic $\beta$-phase Mo$_{1-x}$Re$_x$ alloys with x > 0.10 is an order of magnitude higher than that in the elements Mo and Re. We investigate this rather enigmatic issue of the…
We report a detailed study of specific heat, electrical resistivity and optical spectroscopy in the superconducting boride LuB12 (Tc = 0.4 K) and compare it to the higher Tc compound ZrB12 (Tc = 6 K). Both compounds have the same structure…