Doping-driven Mott transition from steady-state density functional theory
Abstract
We describe the doping-driven Mott transition in the Hubbard model within the framework of steady-state density functional theory, or i-DFT. In order to access the many-body spectral function in i-DFT, an approximation to the exchange-correlation (xc) bias at arbitrary density and current is required. By making use of Fermi-liquid theory, we derive conditions on the xc bias of i-DFT in terms of the quasiparticle weight, thus establishing a clear connection between i-DFT and Fermi-liquid theory. The Fermi liquid conditions are then employed to guide the construction of an approximation to the xc bias functional. Numerical results obtained with this functional demonstrate that the doping-driven Mott transition can indeed be captured with i-DFT. More generally, our i-DFT approach to calculate spectral functions establishes an explicit form for the functional relationship between the many-body spectral function and the ground state electronic density.
Related
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BibTeX
@misc{jacob2026dopingdriven,
title = {{Doping-driven Mott transition from steady-state density functional theory}},
author = {David Jacob and Stefan Kurth},
howpublished = {arXiv},
year = {2026},
month = aug,
doi = {10.48550/arxiv.2608.21029},
eprint = {2608.21029},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2608.21029},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Doping-driven Mott transition from steady-state density functional theory
AU - David Jacob
AU - Stefan Kurth
PY - 2026
DA - 2026/08/31
PB - arXiv
DO - 10.48550/arxiv.2608.21029
UR - https://arxiv.org/abs/2608.21029
AB - We describe the doping-driven Mott transition in the Hubbard model within the framework of steady-state density functional theory, or i-DFT. In order to access the many-body spectral function in i-DFT, an approximation to the exchange-correlation (xc) bias at arbitrary density and current is required. By making use of Fermi-liquid theory, we derive conditions on the xc bias of i-DFT in terms of the quasiparticle weight, thus establishing a clear connection between i-DFT and Fermi-liquid theory. The Fermi liquid conditions are then employed to guide the construction of an approximation to the xc bias functional. Numerical results obtained with this functional demonstrate that the doping-driven Mott transition can indeed be captured with i-DFT. More generally, our i-DFT approach to calculate spectral functions establishes an explicit form for the functional relationship between the many-body spectral function and the ground state electronic density.
ER -