Optical signature of the OCP crystallization in a boron plasma

ORAL

Abstract

We have calculated the DC conductivity of a boron plasma along the 1 eV isotherm up to 25 times the normal density. We use both the quantum and orbital free molecular dynamics coupled with, respectively, the Kubo-Greenwood formulation and the semi-classical Ziman theory. We find that the DC conductivity obtained using a full quantum mechanical treatment exhibits a significant jump at the one component plasma phase transition -- specifically the OCP crystallization -- jump that is not reproduced using the semi-classical Ziman description. This difference -- reaching up to a factor of four -- remains well beyond the phase transition and up to the highest density explored. This shows that a full quantum mechanical treatment of the optical and electrical quantities is required in this regime even if semi-classical theories are reliable to obtain both the thermodynamical, and, ionic dynamical and structural properties.

Authors

  • Flavien Lambert

    • CEA, DAM, DIF
  • St\'ephane Mazevet

    • CEA, DAM, DIF
  • Jean Cl\'erouin

    • CEA, DAM, DIF