Low-density Phase Diagram of the Three-Dimensional Electron Gas
- URL: http://arxiv.org/abs/2201.08743v3
- Date: Thu, 16 Jun 2022 08:41:51 GMT
- Title: Low-density Phase Diagram of the Three-Dimensional Electron Gas
- Authors: Sam Azadi and N.D. Drummond
- Abstract summary: Variational and diffusion quantum Monte Carlo methods are employed to investigate the zero-temperature phase diagram of the homogeneous electron gas at very low density.
Results show that the electron gas undergoes a first-order quantum phase transition directly from a paramagnetic fluid to a body-centered cubic crystal.
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- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Variational and diffusion quantum Monte Carlo methods are employed to
investigate the zero-temperature phase diagram of the three-dimensional
homogeneous electron gas at very low density. Fermi fluid and body-centered
cubic Wigner crystal ground state energies are determined using
Slater-Jastrow-backflow and Slater-Jastrow many-body wave functions at
different densities and spin polarizations in finite simulation cells.
Finite-size errors are removed using twist-averaged boundary conditions and
extrapolation of the energy per particle to the thermodynamic limit of infinite
system size. Unlike previous studies, our results show that the electron gas
undergoes a first-order quantum phase transition directly from a paramagnetic
fluid to a body-centered cubic crystal at density parameter $r_\text{s} =
86.6(7)$, with no region of stability for an itinerant ferromagnetic fluid.
However there is a possible magnetic phase transition from an antiferromagnetic
crystal to a ferromagnetic crystal at $r_\text{s}=93(3)$.
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