Related papers: Weak electron-phonon coupling in the early alkali …
Renormalization of the electronic band gap due to electron-phonon coupling in the tetrahedral semiconductors diamond, silicon and cubic silicon carbide is studied from first principles. There is a marked difference between the coupling of…
In their work, Yan et al. [Phys. Rev. B 88, 121403 (2013)] employing density functional perturbation theory (DFPT) calculations, demonstrate that silicene and germanene show weaker Kohn anomalies in the $\Gamma$-$E_g$ and $K$-$A_1$ phonon…
We consider the deformation potential mechanism of the electron-phonon coupling in metal films and investigate the intensity of the associated heat transfer between the electron and phonon subsystems. The focus is on the temperature region…
In the present work, a theoretical study of electron-phonon (electron-ion) coupling rates in semiconductors driven out of equilibrium is performed. Transient change of optical coefficients reflects the band gap shrinkage in covalently…
We study the hybrid excitations due to the coupling between surface optical phonons of a polar insulator substrate and plasmons in the valley-spin-polarized metal phase of silicene under an exchange field. We perform the calculations within…
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…
We use the renormalization group method to examine the effect of phonon mediated interaction on d-wave superconductivity, as driven by spin fluctuations in a quasi-one-dimensional electron system. The influence of a tight-binding…
The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the…
The title compound is investigated by specific heat measurements in the normal and superconducting state supplemented by upper critical field transport, susceptibility and magnetization measurements. From a detailed analysis including also…
We present a comprehensive ab initio study of structural, electronic, lattice dynamical and electron-phonon coupling properties of the Bi(111) surface within density functional perturbation theory. Relativistic corrections due to spin-orbit…
We investigate the behavior of weak ferromagnetic metals close to the ferromagnetic critical point. We show that in the limit of small magnetic moment the low temperature metallic phase is rigorously described by a local ferromagnetic Fermi…
We show how the coupling between the phonons and electrons in a strongly correlated metal can result in phonon frequencies which have a non-monotonic temperature dependence. Dynamical mean-field theory is used to study the Hubbard-Holstein…
Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and…
Antiferromagnetic materials with strong spin-phonon coupling have the potential for spintronic applications. Here, we report the structural, magnetic, and vibrational properties of 12R-BaTi0.4Mn0.6O3. Temperature-dependent magnetization…
The electronic structure and lattice vibrational frequencies of the newly discovered superconductors, LiFeAs and NaFeAs, are calculated within density functional theory. We show that in the vicinity of the Fermi energy, the density of…
It is experimentally well established that the Cr(001)-surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface…
Scanning tunnelling microscopy and low energy electron diffraction show a dimerization-like reconstruction in the one-dimensional atomic chains on Bi(114) at low temperatures. While one-dimensional systems are generally unstable against…
Several experiments have been performed on 1T-TiSe2 in order to identify whether the electronic structure is semimetallic or semiconducting without reaching a consensus. In this paper, we theoretically study the impact of electron-hole and…
First-principles calculations of the electronic structure and vibrational modes, in a system of graphene bilayers and trilayers intercalated with alkaline earth atoms, are resented. It is found that, in similarity to the case of…
The coupling of Fe magnetic moments in LaFeAsO$_{1-x}$F$_{x}$ with the As $A_{1g}$ phonon is calculated. We present first principles calculations of the atomic and electronic structure of LaFeAsO as a function of electron doping. We perform…