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arXiv:2210.07504

Determination of Fermi surface by charge density correlations

Zhipeng Sun

Published Oct 14, 2022• 0 citations
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Abstract

The Fermi surface topology in the two-dimensional Hubbard model is particularly relevant for the high-temperature superconductors, whereas its theoretical research encounters with the difficulty of the analytical continuation problem. To this end, we proposed the concept of the momentum-dependent compressibility, defined as the variation of the momentum distribution function with respect to the chemical potential. The surface determined by the maximum of the momentum-dependent compressibility is nearly identical to the Fermi surface in the weakly and intermediate coupling regions according to our numerical results. In the correlated region, this surface also exhibits pocket and arc features, just like the Fermi surface in high-temperature superconductors. Therefore, for theoretical studies, this surface can be used as an alternative to determine the underlying Fermi surface. Considering that the momentum-dependent compressibility is closely related to the charge density correlations, our work also shows a connection between the Fermi surface topology and the charge density fluctuations.

DOI
10.48550/arxiv.2210.07504

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The Fermi surface topology in the two-dimensional Hubbard model is particularly relevant for the high-temperature superconductors, whereas its theoretical research encounters with the difficulty of the analytical continuation problem. To this end, we proposed the concept of the momentum-dependent compressibility, defined as the variation of the momentum distribution function with respect to the chemical potential. The surface determined by the maximum of the momentum-dependent compressibility is nearly identical to the Fermi surface in the weakly and intermediate coupling regions according to our numerical results. In the correlated region, this surface also exhibits pocket and arc features, just like the Fermi surface in high-temperature superconductors. Therefore, for theoretical studies, this surface can be used as an alternative to determine the underlying Fermi surface. Considering that the momentum-dependent compressibility is closely related to the charge density correlations, our work also shows a connection between the Fermi surface topology and the charge density fluctuations.
The Fermi surface topology plays a crucial role in the study of high-temperature superconductivity cuprates. The conventional method for determining the Fermi surface is the maximum spectral intensity method, which involves numerical analytical continuation of Matsubara data for the one-body Green's function. However, the numerical analytical continuation is sensitive to the noise or the precision of the Matsubara data, and hence is not always reliable. With this in mind, we propose a simple and specific notion as a reference for the Fermi surface. It is the derivative of the momentum distribution function ${n}_{\mathbit{k}}$ with respect to the chemical potential $\ensuremath{\mu}$. Our analysis of the noninteracting system shows that the momentum, at which $d{n}_{\mathbit{k}}/d\ensuremath{\mu}$ takes the maximum value, constitutes a surface, which coincides with the Fermi surface. The relationship between $d{n}_{\mathbit{k}}/d\ensuremath{\mu}$ and the Fermi surface in general cases is also analyzed. In order to numerically demonstrate this relationship, we calculate and compare on the two-dimensional Hubbard model within the HGW method. The results show that, at least in the weak and intermediate coupling regimes, using the notion of $d{n}_{\mathbit{k}}/d\ensuremath{\mu}$ to determine the Fermi surface is reliable. We further studied the cases with model parameters standing for realistic materials, and found the surface determined by $d{n}_{\mathbit{k}}/d\ensuremath{\mu}$ exhibits topological transition with the charge filling, similar to the Fermi surface in the cuprates. We believe that using the derivative of the momentum distribution function with respect to the chemical potential to determine the Fermi surface is a reasonable, efficient, and potentially valuable approach.
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The underlying Fermi surface is a key concept for strongly interacting electron models and has been introduced to generalize the usual notion of the Fermi surface to generic (superconducting or insulating) systems. By using improved correlated wave functions that contain backflow and Jastrow terms, we examine the two-dimensional ttt-${t}^{\ensuremath{'}}$ Hubbard model and find a nontrivial renormalization of the topology of the underlying Fermi surface close to the Mott insulator. Moreover, we observe a sharp crossover region, which arises from the metal-insulator transition, from a weakly interacting metal at small coupling to a resonating valence-bond superconductor at intermediate coupling. A violation of the Luttinger theorem is detected at low hole dopings.
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One of the fundamental questions about high-temperature cuprate superconductors is the size of the Fermi surface underlying the superconducting state. By analyzing the single-particle spectral function for the Fermi-Hubbard model as a function of repulsion UUU and chemical potential $\ensuremath{\mu}$, we find that the Fermi surface in the normal state undergoes a transition from a large Fermi surface matching the Luttinger volume as expected in a Fermi liquid, to a Fermi surface that encloses fewer electrons that we dub the ``Luttinger breaking'' phase, as the Mott insulator is approached. This transition into a non-Fermi-liquid phase that violates the Luttinger count occurs at a critical density in the absence of any other broken symmetry. We obtain the Fermi-surface contour from the spectral weight ${A}_{\mathbf{k}}(\ensuremath{\omega}=0)$ and from an analysis of the singularities of the Green's function ReGk(E=0)\mathrm{Re}\phantom{\rule{0.16em}{0ex}}{G}_{\mathbf{k}}(E=0)ReGk​(E=0), calculated using determinantal quantum Monte Carlo and analytic continuation methods. We discuss our numerical results in connection with experiments on Hall measurements, scanning tunneling spectroscopy, and angle-resolved photoemission spectroscopy.
The electron-electron interactions affect the low-energy excitations of an electronic system and induce deformations of the Fermi surface. These effects are especially important in anisotropic materials with strong correlations, such as copper-oxide superconductors or ruthenates. Here we analyze the deformations produced by electronic correlations in the Fermi surface of anisotropic two-dimensional systems, treating the regular and singular regions of the Fermi surface on the same footing. Simple analytical expressions are obtained for the corrections, based on local features of the Fermi surface. It is shown that, even for weak local interactions, the behavior of the self-energy is nontrivial, showing a momentum dependence and a self-consistent interplay with the Fermi surface topology. Results are compared to experimental observations and to other theoretical results.