Related papers: A density functional study of pressure induced sup…

A series of polycrystalline SmFeAs1-xOx bulks was prepared to systematically investigate the influence of sample density on flux pinning properties. Different sample densities were achieved by controlling the pelletizing pressure. The…

Neutrons have played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Neutron measurements of the phonon density-of-state are in…

Previous theoretical studies on superconductivity were focused on the static states and adiabatic processes. Quantum mechanics simulations of time-dependent processes in superconductors were rarely performed previously. Here we use…

The electromagnetic response of the CuO2-planes is calculated within a strong coupling theory using model tight binding bands and momentum dependent pairing interactions representing spin fluctuations and phonon exchange. The…

Emergence of superconductivity in a two-band system coupled with breathing and Jahn-Teller phonons is discussed in a weak-coupling limit. With the use of a standard quantum mechanical procedure, the phonon-mediated attraction is derived.…

Systematic benchmark calculations for elemental bulks are presented to validate the accuracy of density functional theory for superconductors. We developed a method to treat the spin-orbit interaction (SOI) together with the spin…

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…

For Y$_2$C$_3$ with a superconducting critical temperature (T$_c$) $\sim$18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry $I$-$43d$ structure due to C dimer wobbling motion and electronic instability…

The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approximation. Motivated by recent experiments, the structure,…

Several SrTiO3 (STO) thin films without electrodes processed by pulsed laser deposition, of thicknesses down to 40 nm, were studied using infrared transmission and reflection spectroscopy. The complex dielectric responses of polar phonon…

A recent experimental study announced the emergence of superconductivity in La$_3$Ni$_2$O$_7$ under pressure, with the highest observed superconducting transition temperature ($T_c$) reaching approximately 80 K beyond 14 GPa. While…

Various tin hydrides SnHx (x = 4, 8, 12, 14) have been theoretically predicted to be stable at high pressures and to show high-critical-temperature superconductivity with Tc ranging from about 70 to 100 K. However, experimental…

Cuprates are promising candidates for study in developing higher temperature superconductors. A thorough understanding of a material's phonon modes enables further investigation of its emergent properties, however, no complete reference of…

We use numerical minimization of a model free energy functional to study the effects of columnar pinning centers on the structure and thermodynamics of a system of pancake vortices in the mixed phase of highly anisotropic layered…

We outline a procedure for obtaining the electron-phonon spectral density by inversion of optical conductivity data, a process very similar in spirit to the McMillan-Rowell inversion of tunelling data. We assume both electron-impurity…

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…

Superconductivity in Mo3Sb7 is analyzed using the combined electronic structure and phonon calculations, and the electron--phonon coupling constant \lambda_{ph}=0.54 is determined from first principles. This value explains the experimental…

The charge-carrier transport properties of ultrathin metallic films are analysed with ab-initio methods using the density functional theory (DFT) on free-standing single crystalline slabs in the thickness range between 1 and 8 monolayers…

We investigate in the framework of linear response theory the complete phonon dispersion, phonon induced electronic charge response, electron-phonon interaction and dielectric and infrared properties of the high-temperature superconductors…

The discovery of high critical-temperature $T_{\mathrm{c}}$ superconductivity in La$_3$Ni$_2$O$_7$ under high pressure has led to a rapid expansion of the $T_{\mathrm{c}}$ range through lanthanide $Ln$ substitution, and to ambient-pressure…