Related papers: A density functional study of pressure induced sup…
Magnetic measurements have been carried out in the superconducting and normal states of the optimally doped nonmagnetic bismuthate superconductor Ba0.63K0.37BiO3. The magnetic data along with previous muSR, resistivity, and tunneling data…
The mechanism of spin-phonon coupling in high-T$_C$ copper oxides is explored from band calculations on La$_{(2-x)}$Sr$_x$CuO$_4$ and HgBa$_2$CuO$_4$ systems. The LMTO band calculations, based on the local density approximation, are made…
The origin of superconductivity in twisted bilayer graphene -- whether phonon-driven or electron-driven -- remains unresolved, in part due to the absence of a quantitative and efficient model for electron-phonon coupling (EPC). In this…
Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dimensional lattice dynamics calculations and the Boltzmann…
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 have measured the resistivity of PrFeAsO$_{1-x}$F$_y$ samples over a wide range of temperature in order to elucidate the role of electron-phonon interaction on normal- and superconducting-state properties. The linear T dependence of…
I present the results of first principles calculations of the phonon dispersions and electron-phonon coupling for BaTi$_2$Sb$_2$O. The phonon dispersions show a weak lattice instability near the zone corners that leads to a charge-density…
We calculate Tc map in region of weak electron-phonon coupling based on simple phonon spectrum. By using linear-response method and density functional theory, we calculate phonon spectra and Eliashberg functions of simple metals under…
The tin-selenide and tin-sulfide classes of materials undergo multiple structural transitions under high pressure leading to periodic lattice distortions, superconductivity, and topologically non-trivial phases, yet a number of…
We consider a BCS-type model in the spin formalism and argue that the structure of the interaction provides a mechanism for control over directions of the spin $\vect S$ other than $S_z$, which is being controlled via the conventional…
The supercurrent field effect is experimentally realized in various nano-scale devices, based on the superconductivity suppression by external electric fields being effective for confined systems. In spite of intense research, a microscopic…
We examine vortex pinning and dynamics in thin-film superconductors interacting with square and rectangular pinning arrays for varied vortex densities including densities significantly larger than the pinning density. For both square and…
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 highest superconducting temperature T$_c$ observed in any elemental metal (Li with T$_c$ ~ 20 K at pressure P ~ 40 GPa) is shown to arise from critical (formally divergent) electron-phonon coupling to the transverse T$_1$ phonon branch…
Inspired by the synthesis of XB3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate structure, density functional theory (DFT) calculations are performed on members of this family containing up to two different metal atoms. A…
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…
This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including…
At low temperature TiSe2 undergoes a charge density wave instability. Superconductivity is stabilized either by pressure or by Cu intercalation. We show that the pressure phase diagram of TiSe2 is well described by first-principles…
For the BCS theory of superconductivity, the electron-phonon interaction is transformed to an attractive electron-electron interaction in the vicinity of the Fermi energy only. At the same time, its formal derivation using a unitary…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…