Related papers: Electronic structure, electron-phonon coupling and…
The conductance curves of point-contact tunnel junctions between Ag and $\rm Ba_{1-x}K_xBiO_3$ ($x\simeq 0.4$) reveal a BCS behavior with low leakage current at zero voltage and some broadening of the superconducting-gap structure. In the…
Superconductivity in noncentrosymmetric compounds has attracted sustained interest in the last decades. Here we present a detailed study on the transport, thermodynamic properties and the band structure of the noncentrosymmetric…
In a superconductor that lacks inversion symmetry, the spatial part of the Cooper pair wave function has a reduced symmetry, allowing for the mixing of spin-singlet and spin-triplet Cooper pairing channels and thus providing a pathway to a…
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 calculate the lattice phonons and the electron-phonon coupling of the organic superconductor \kappa-(BEDT-TTF)_2 I_3, reproducing all available experimental data connected to phonon dynamics. Low-frequency intra-molecular vibrations are…
The so-called neutron spin resonance consists of a prominent enhancement of the magnetic response at a particular energy and momentum transfer upon entering the superconducting state of unconventional superconductors. In the case of…
The effect of the presence of electron-phonon (e-ph) coupling in the SiC, GeC and SnC hybrids is studied in the framework of the ab initio perturbation theory. The electronic bang gap thermal dependence reveals a normal monotonic decrease…
The weak-coupling quantum phase diagrams of the one-dimensional (1D) Holstein-Hubbard and Peierls-Hubbard models are computed near half-filling, using a multi-step renormalization group technique. If strong enough, the electron-phonon…
Density functional theory (DFT) based ab-initio calculations of electronic, phononic, and superconducting properties of 1T MoS2 are reported. The phonon dispersions are computed within density-functional-perturbation-theory (DFPT). We have…
In non-centrosymmetric superconductors, where the crystal structure lacks a centre of inversion, parity is no longer a good quantum number and an electronic antisymmetric spin-orbit coupling (ASOC) is allowed to exist by symmetry. If this…
We investigate the role played by the electron spin and the spin-orbit interaction on the exceptional electronphonon coupling at the Tl/Si(111) surface. Our first-principles calculations demonstrate that the particular spin pattern of this…
We have studied the electron-phonon and superconducting properties of the Mg{1-x}AlxB2 and MgB{2(1-y)}C{2y} alloys within the framework of density functional theory using the self-consistent virtual-crystal approximation. For both alloys,…
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…
SrPt3P has recently been reported to exhibit superconductivity with Tc = 8.4 K. To explore its superconducting mechanism, we have performed electron and phonon band calculations based on the density functional theory, and found that the…
Cr2Ge2Te6 has been of interest for decades, as it is one of only a few naturally forming ferromagnetic semiconductors. Recently, this material has been revisited due to its potential as a 2 dimensional semiconducting ferromagnet and a…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
We calculate the electronic thermal conductivity in a d-wave superconductor, including both the effect of impurity scattering and inelastic scattering by antiferromagnetic spin fluctuations. We analyze existing experiments, particularly…
Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…
Recent experiments found superconductivity in nonmagnetic MnB$_4$ with a high critical temperature ($T_{c}$) reaching 14 K at 158 GPa. However, ab initio calculations of the electron-phonon coupling predict a $T_{c}$ below 1 K, suggesting…
The temperature dependence below $T_{c}$ of the lineshape of optical phonons of different symmetry as seen in Raman scattering is investigated for superconductors with anisotropic energy gaps. It is shown that the symmetry of the…