Universal enhancement of superconductivity in two dimensional semiconductors at low doping by electron-electron interaction

In two-dimensional multivalley semiconductors, at low doping, even a moderate electron-electron interaction enhances the response to any perturbation inducing a valley polarization. If the valley polarization is due to the electron-phonon coupling, the electron-electron interaction results in an enhancement of the superconducting critical temperature. By performing first principles calculations beyond density functional theory, we prove that this effect accounts for the unconventional doping-dependence of the superconducting transition-temperature (T$_c$) and of the magnetic susceptibility measured in Li$_x$ZrNCl. By finding the conditions for a maximal T$_c$ enhancement, we show how weakly-doped two-dimensional semiconductors provide a route towards high T$_c$ superconductivity.

Anharmonic properties from a generalized third order ab~initio approach: theory and applications to graphite and graphene

We have implemented a generic method, based on the 2n+1 theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wavevectors. The method is used to study the phonon broadening in graphite and graphene mono- and bi-layer. The broadening of the high-energy optical branches is highly nonuniform and presents a series of sudden steps and spikes. At finite temperature, the two linearly dispersive acoustic branches TA and LA of graphene have nonzero broadening for small wavevectors. The broadening in graphite and bi-layer graphene is, overall, very similar to the graphene one, the most remarkable feature being the broadening of the quasi acoustical ZO branch. Finally, we study the intrinsic anharmonic contribution to the thermal conductivity of the three systems, within the single mode relaxation time approximation. We find the conductance to be in good agreement with experimental data for the out-of-plane direction but to underestimate it by a factor 2 in-plane.

Zener tunneling in the electrical transport of quasi-metallic carbon nanotubes

We study theoretically the impact of Zener tunneling on the charge-transport properties of quasi-metallic (Qm) carbon nanotubes (characterized by forbidden band gaps of few tens of meV). We also analyze the interplay between Zener tunneling and elastic scattering on defects. To this purpose we use a model based on the master equation for the density matrix, that takes into account the inter-band Zener transitions induced by the electric field (a quantum mechanical effect), the electron-defect scattering and the electron-phonon scattering. In presence of Zener tunnelling the Qm tubes support an electrical current even when the Fermi energy lies in the forbidden band gap. In absence of elastic scattering (in high quality samples), the small size of the band gap of Qm tubes enables Zener tunnelling for realistic values of the the electric field (above $sim$ 1 V/mu m). The presence of a strong elastic scattering (in low quality samples) further decreases the values of the field required to observe Zener tunnelling. Indeed, for elastic-scattering lengths of the order of 50 nm, Zener tunnelling affects the current/voltage characteristic already in the linear regime. In other words, in quasi-metallic tubes, Zener tunneling is made more visible by defects.