English

Hartree-Fock Ground State Phase Diagram of Jellium

Strongly Correlated Electrons 2014-03-04 v2

Abstract

We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous Fermi gas state with isotropic Fermi surface. At high density, we find metallic spin-unpolarized solutions where electronic charge and spin density form an incommensurate crystal having more crystal sites than electrons. For rs0r_s \to 0, our solutions approach pure spin-density waves, whereas the commensurate Wigner crystal is favored at lower densities, rs>3.4r_s > 3.4. Decreasing the density, the system undergoes several structural phase transitions with different lattice symmetries. The polarization transition occurs around rs8.5r_s \approx 8.5.

Keywords

Cite

@article{arxiv.1307.3081,
  title  = {Hartree-Fock Ground State Phase Diagram of Jellium},
  author = {Lucas Baguet and François Delyon and Bernard Bernu and Markus Holzmann},
  journal= {arXiv preprint arXiv:1307.3081},
  year   = {2014}
}

Comments

10 pages, 6 figures