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Springer theses

Random Matrix Impurity Model

Maxime Debertolis

Published Jan 1, 2024• 0 citations
Publisher
DOI
10.1007/978-3-031-47233-6_6

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We introduce the notion of an impurity susceptibility as a measure of the effect of disorder on the properties of interacting many-particle systems. If finite, the impurity susceptibility gives the lowest-order correction to a given physical observable in the presence of disorder. If divergent, it signals that arbitrarily weak disorder leads to a qualitatively different physical behavior. Using a quantum Monte Carlo technique, impurity susceptibilities for various properties of the one-dimensional Hubbard model are calculated. Two types of disorder are considered; random hopping matrix elements and random potentials. For the local magnetic moment and the kinetic energy the impurity susceptibilities are finite. The impurity susceptibility of the q=2kF{\mathit{k}}_{\mathit{F}}kF​ spin response is divergent for both types of disorder, indicating a quenching of the T\ensuremath{\rightarrow}0 divergence of this quantity. The susceptibility of the q=0 spin response to random hopping diverges at half filling, as a consequence of a divergent magnetic susceptibility in the presence of this type of disorder. We also find large, possibly divergent, impurity susceptibilities for the q=2kF{\mathit{k}}_{\mathit{F}}kF​ and 4kF{\mathit{k}}_{\mathit{F}}kF​ charge-density responses.
Quantum embedding theories can be used for obtaining quantitative descriptions of correlated materials. However, a critical challenge is solving an effective impurity model of correlated orbitals embedded in an electron bath. Many advanced impurity solvers require the approximation of a bath continuum using a finite number of bath levels, producing a highly nonconvex, ill-conditioned inverse problem. To address this drawback, this study proposes an efficient fitting algorithm for matrix-valued hybridization functions based on a data-science approach, sparse modeling, and a compact representation of Matsubara Green's functions. The efficiency of the proposed method is demonstrated by fitting random hybridization functions with large off-diagonal elements and those of a 20-orbital impurity model for a high-Tc{T}_{\mathrm{c}}Tc​ compound, LaAsFeO, at low temperatures (T)(T)(T). The results set quantitative goals for the future development of impurity solvers toward quantum embedding simulations of complex correlated materials.