Quantifying the Phase Diagram and Hamiltonian of $S=1/2$ Kagome Antiferromagnets: Bridging Theory and Experiment

Fuente: arXiv
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Main Authors: Jiang, Shengtao, Campello, Arthur C., He, Wei, Wen, Jiajia, Pajerowski, Daniel M., Lee, Young S., Jiang, Hong-Chen
Format: Preprint
Published: 2025
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author Jiang, Shengtao
Campello, Arthur C.
He, Wei
Wen, Jiajia
Pajerowski, Daniel M.
Lee, Young S.
Jiang, Hong-Chen
author_facet Jiang, Shengtao
Campello, Arthur C.
He, Wei
Wen, Jiajia
Pajerowski, Daniel M.
Lee, Young S.
Jiang, Hong-Chen
contents Spin-$1/2$ kagome antiferromagnets are leading candidates for realizing quantum spin liquid (QSL) ground states. While QSL ground states are predicted for the pure Heisenberg model, understanding the robustness of the QSL to additional interactions that may be present in real materials is a forefront question in the field. Here we employ large-scale density-matrix renormalization group simulations to investigate the effects of next-nearest neighbor exchange couplings $J_2$ and Dzyaloshinskii-Moriya interactions $D$, which are relevant to understanding the prototypical kagome materials herbertsmithite and Zn-barlowite. By utilizing clusters as large as XC12 and extrapolating the results to the thermodynamic limit, we precisely delineate the scope of the QSL phase, which remains robust across an expanded parameter range of $J_2$ and $D$. Direct comparison of the simulated static and dynamic spin structure factors with inelastic neutron scattering reveals the parameter space of the Hamiltonians for herbertsmithite and Zn-barlowite, and, importantly, provides compelling evidence that both materials exist within the QSL phase. These results establish a powerful convergence of theory and experiment in this most elusive state of matter.
format Preprint
id arxiv_https___arxiv_org_abs_2504_07387
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Quantifying the Phase Diagram and Hamiltonian of $S=1/2$ Kagome Antiferromagnets: Bridging Theory and Experiment
Jiang, Shengtao
Campello, Arthur C.
He, Wei
Wen, Jiajia
Pajerowski, Daniel M.
Lee, Young S.
Jiang, Hong-Chen
Strongly Correlated Electrons
Spin-$1/2$ kagome antiferromagnets are leading candidates for realizing quantum spin liquid (QSL) ground states. While QSL ground states are predicted for the pure Heisenberg model, understanding the robustness of the QSL to additional interactions that may be present in real materials is a forefront question in the field. Here we employ large-scale density-matrix renormalization group simulations to investigate the effects of next-nearest neighbor exchange couplings $J_2$ and Dzyaloshinskii-Moriya interactions $D$, which are relevant to understanding the prototypical kagome materials herbertsmithite and Zn-barlowite. By utilizing clusters as large as XC12 and extrapolating the results to the thermodynamic limit, we precisely delineate the scope of the QSL phase, which remains robust across an expanded parameter range of $J_2$ and $D$. Direct comparison of the simulated static and dynamic spin structure factors with inelastic neutron scattering reveals the parameter space of the Hamiltonians for herbertsmithite and Zn-barlowite, and, importantly, provides compelling evidence that both materials exist within the QSL phase. These results establish a powerful convergence of theory and experiment in this most elusive state of matter.
title Quantifying the Phase Diagram and Hamiltonian of $S=1/2$ Kagome Antiferromagnets: Bridging Theory and Experiment
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2504.07387