Capturing the dynamics of Wigner crystals within the phase-field crystal method

Salvador Valtierra Rodriguez; Nan Wang; Nana Ofori-Opoku; Nikolas Provatas; Kirk H. Bevan

doi:10.1103/PhysRevB.100.235116

Capturing the dynamics of Wigner crystals within the phase-field crystal method

Salvador Valtierra Rodriguez, Nan Wang, Nana Ofori-Opoku, Nikolas Provatas, Kirk H. Bevan

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

An electronic phase-field crystal model is proposed where the thermodynamics of electrons are considered in a free-energy-functional formulation. The free-electron-gas system is considered initially as the noninteracting limit of the model. The excess free-energy contribution to the functional is incorporated by including Coulombic repulsions among electrons and exchange-correlation interactions. The evolution of an electron mean field is considered in the low-temperature limit using diffusive dynamics. Three-dimensional Wigner crystallization can be achieved from the model when the density of the system is lowered sufficiently. Through this approach, we are able to provide insight into topological defect formation and evolution during Wigner crystallization.

Original language	English
Article number	235116
Journal	Physical Review B
Volume	100
Issue number	23
DOIs	https://doi.org/10.1103/PhysRevB.100.235116
State	Published - 10 Dec 2019
Externally published	Yes

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10.1103/PhysRevB.100.235116

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title = "Capturing the dynamics of Wigner crystals within the phase-field crystal method",

abstract = "An electronic phase-field crystal model is proposed where the thermodynamics of electrons are considered in a free-energy-functional formulation. The free-electron-gas system is considered initially as the noninteracting limit of the model. The excess free-energy contribution to the functional is incorporated by including Coulombic repulsions among electrons and exchange-correlation interactions. The evolution of an electron mean field is considered in the low-temperature limit using diffusive dynamics. Three-dimensional Wigner crystallization can be achieved from the model when the density of the system is lowered sufficiently. Through this approach, we are able to provide insight into topological defect formation and evolution during Wigner crystallization.",

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AU - Valtierra Rodriguez, Salvador

AU - Wang, Nan

AU - Ofori-Opoku, Nana

AU - Provatas, Nikolas

AU - Bevan, Kirk H.

PY - 2019/12/10

Y1 - 2019/12/10

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Capturing the dynamics of Wigner crystals within the phase-field crystal method

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