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Low-density phase diagram of the three-dimensional electron gas

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Low-density phase diagram of the three-dimensional electron gas. / Azadi, Sam; Drummond, Neil.

In: Physical Review B: Condensed Matter and Materials Physics, Vol. 105, No. 24, 245135, 23.06.2022.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Azadi, S & Drummond, N 2022, 'Low-density phase diagram of the three-dimensional electron gas', Physical Review B: Condensed Matter and Materials Physics, vol. 105, no. 24, 245135. https://doi.org/10.1103/PhysRevB.105.245135

APA

Azadi, S., & Drummond, N. (2022). Low-density phase diagram of the three-dimensional electron gas. Physical Review B: Condensed Matter and Materials Physics, 105(24), [245135]. https://doi.org/10.1103/PhysRevB.105.245135

Vancouver

Azadi S, Drummond N. Low-density phase diagram of the three-dimensional electron gas. Physical Review B: Condensed Matter and Materials Physics. 2022 Jun 23;105(24):245135. doi: 10.1103/PhysRevB.105.245135

Author

Azadi, Sam ; Drummond, Neil. / Low-density phase diagram of the three-dimensional electron gas. In: Physical Review B: Condensed Matter and Materials Physics. 2022 ; Vol. 105, No. 24.

Bibtex

@article{e1a53d644882464b941f0246f0876839,
title = "Low-density phase diagram of the three-dimensional electron gas",
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 rs=86.6(7), with no region of stability for an itinerant ferromagnetic fluid.",
author = "Sam Azadi and Neil Drummond",
note = "{\textcopyright} 2022 American Physical Society",
year = "2022",
month = jun,
day = "23",
doi = "10.1103/PhysRevB.105.245135",
language = "English",
volume = "105",
journal = "Physical Review B: Condensed Matter and Materials Physics",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "24",

}

RIS

TY - JOUR

T1 - Low-density phase diagram of the three-dimensional electron gas

AU - Azadi, Sam

AU - Drummond, Neil

N1 - © 2022 American Physical Society

PY - 2022/6/23

Y1 - 2022/6/23

N2 - 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 rs=86.6(7), with no region of stability for an itinerant ferromagnetic fluid.

AB - 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 rs=86.6(7), with no region of stability for an itinerant ferromagnetic fluid.

U2 - 10.1103/PhysRevB.105.245135

DO - 10.1103/PhysRevB.105.245135

M3 - Journal article

VL - 105

JO - Physical Review B: Condensed Matter and Materials Physics

JF - Physical Review B: Condensed Matter and Materials Physics

SN - 1098-0121

IS - 24

M1 - 245135

ER -