Hartree-Fock Ground State Phase Diagram of Jellium

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 $r_s\to 0$, our solutions approach pure spin-density waves, 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. The polarization transition occurs around $r_s\approx 8.5$.

10 pages, 6 figures

References in corpus (4)

• The Finite Size Error in Many-body Simulations with long-Ranged Interactions
• Unrestricted Hartree-Fock theory of Wigner crystals
• The Hartree-Fock ground state of the three-dimensional electron gas
• The Magnetic Ordering of the 3d Wigner Crystal

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