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Title: Numerical investigation of spin excitations in a doped spin chain

Abstract

We study the doping evolution of spin excitations in a one-dimensional (1D) Hubbard model and its downfolded spin Hamiltonians, by using exact diagonalization combined with cluster perturbation theory. In all models we observe hardening (softening) of spin excitations upon electron (hole) doping, which are reminiscent of recent experiments on two-dimensional (2D) cuprate materials. We also find that the three-site and even higher-order terms are crucial for the low-energy effective spin models to reproduce the magnetic spectra of doped Hubbard systems at a quantitative level. To interpret the numerical results, we further employ a strong coupling slave-boson mean-field theory. The mean-field theory provides an intuitive understanding of the overall compact support of dynamic spin structure factors, including the shift of zero-energy modes and change of spin excitation bandwidth with doping. Our results can serve as predictive benchmarks for future inelastic x-ray or neutron scattering experiments on doped 1D antiferromagnetic Mott insulators.

Authors:
 [1];  [2];  [3];  [4];  [1];  [5]
  1. Univ. of Alabama, Birmingham, AL (United States). Dept. of Physics
  2. Harvard Univ., Cambridge, MA (United States). Dept. of Physics
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., CA (United States). Stanford Inst. for Materials and Energy Sciences
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., CA (United States). Stanford Inst. for Materials and Energy Sciences; Stanford Univ., CA (United States). Dept. of Materials Science and Engineering
  5. Univ. of Warsaw (Poland). Faculty of Physics, Inst. of Theoretical Physics
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1542655
DOE Contract Number:  
AC02-76SF00515; AC02-05CH11231
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 20; Journal ID: ISSN 2469-9950
Country of Publication:
United States
Language:
English

Citation Formats

Pärschke, Ekaterina M., Wang, Yao, Moritz, Brian, Devereaux, Thomas P., Chen, Cheng-Chien, and Wohlfeld, Krzysztof. Numerical investigation of spin excitations in a doped spin chain. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.99.205102.
Pärschke, Ekaterina M., Wang, Yao, Moritz, Brian, Devereaux, Thomas P., Chen, Cheng-Chien, & Wohlfeld, Krzysztof. Numerical investigation of spin excitations in a doped spin chain. United States. doi:10.1103/PhysRevB.99.205102.
Pärschke, Ekaterina M., Wang, Yao, Moritz, Brian, Devereaux, Thomas P., Chen, Cheng-Chien, and Wohlfeld, Krzysztof. Wed . "Numerical investigation of spin excitations in a doped spin chain". United States. doi:10.1103/PhysRevB.99.205102.
@article{osti_1542655,
title = {Numerical investigation of spin excitations in a doped spin chain},
author = {Pärschke, Ekaterina M. and Wang, Yao and Moritz, Brian and Devereaux, Thomas P. and Chen, Cheng-Chien and Wohlfeld, Krzysztof},
abstractNote = {We study the doping evolution of spin excitations in a one-dimensional (1D) Hubbard model and its downfolded spin Hamiltonians, by using exact diagonalization combined with cluster perturbation theory. In all models we observe hardening (softening) of spin excitations upon electron (hole) doping, which are reminiscent of recent experiments on two-dimensional (2D) cuprate materials. We also find that the three-site and even higher-order terms are crucial for the low-energy effective spin models to reproduce the magnetic spectra of doped Hubbard systems at a quantitative level. To interpret the numerical results, we further employ a strong coupling slave-boson mean-field theory. The mean-field theory provides an intuitive understanding of the overall compact support of dynamic spin structure factors, including the shift of zero-energy modes and change of spin excitation bandwidth with doping. Our results can serve as predictive benchmarks for future inelastic x-ray or neutron scattering experiments on doped 1D antiferromagnetic Mott insulators.},
doi = {10.1103/PhysRevB.99.205102},
journal = {Physical Review B},
issn = {2469-9950},
number = 20,
volume = 99,
place = {United States},
year = {2019},
month = {5}
}

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