No abstract

Using the Keldysh Green function technique, we calculate the finite-frequency correlator between the electrical current and the heat current flowing through a quantum dot connected to reservoirs. At equilibrium, we find that this quantity, called mixed noise, is linked to the thermoelectric acconductance by the fluctuation-dissipation theorem. Out-of-equilibrium, we discuss its spectrum and find evidence of the close relationship between the mixed noise and the thermopower. We study the spectral coherence and identify the conditions to have a strong correlation between the electrical and heat currents. The change in the spectral coherence due to the presence of a temperature gradient between the reservoirs is also highlighted.

We present here a theoretical study of ordering processes in metal-hydrogen compounds based on a generalized perturbation method and on tight-binding coherent potential approximation. This approach is illustrated for zirconium hydrides, in which case we demonstrate that a cluster expansion of the ordering energy can be limited to effective pair interactions, the leading one being between hydrogen atoms in third-neighbor positions. These results are quantitatively confirmed by comparison to density functional theory calculations and qualitatively interpreted through orbital symmetry analysis. The method is then applied first to draw a preliminary Zr-H phase diagram and then to characterize the effect of lattice deformation on the ordering processes in zirconium hydrides.