Friday, July 12, 2013

1307.3081 (Lucas Baguet et al.)

Hartree-Fock Ground State Phase Diagram of Jellium    [PDF]

Lucas Baguet, François Delyon, Bernard Bernu, Markus Holzmann
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 solutions where electronic charge and spin density form an incommensurate crystal having more crystal sites than electrons, whereas the commensurate Wigner crystal is favored at lower densities, r_s > 3.4. Decreasing the density, the system undergoes several structural phase transitions with different lattice symmetries, changing from spin unpolarized to fully polarized Wigner crystals at r_s > 8.5.
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