Direct evaluation of the isotope effect within the framework of density functional theory for superconductors.

Within recent developments of density functional theory, its numerical implementation and of the superconducting density functional theory is nowadays possible to predict the superconducting critical temperature, [Formula: see text], with sufficient accuracy to anticipate the experimental verification. In this paper we present an analytical derivation of the isotope coefficient within the superconducting density functional theory. We calculate the partial derivative of [Formula: see text] with respect to atomic masses.

Disorder-induced localisation and suppression of superconductivity in YSrCuO.

By means of ab initio calculations within the local density approximation to density functional theory, we investigate the electronic structure of the 60 K superconductor YSrCuO (YSCO). We focus on the effects of the Sr/Ba substitution and on the main structural modifications induced by this substitution experimentally found in the Sr compound, namely the tetragonal symmetry and the oxygen disorder in the basal plane. In the calculations, this disorder is simulated by using a supercell approach.

Fully band-resolved scattering rate in MgB2 revealed by the nonlinear hall effect and magnetoresistance measurements.

We have measured the normal state temperature dependence of the Hall effect and magnetoresistance in epitaxial MgB2 thin films with variable disorders characterized by the residual resistance ratio RRR ranging from 4.0 to 33.3.