Numerical investigation of spin excitations in a doped spin chain

Pärschke, Ekaterina M.; Wang, Yao; Moritz, Brian; Devereaux, Thomas P.; Chen, Cheng-Chien; Wohlfeld, Krzysztof

doi:10.1103/PhysRevB.99.205102

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

Journal Article · Wed May 01 00:00:00 EDT 2019 · Physical Review. B

DOI:https://doi.org/10.1103/PhysRevB.99.205102· OSTI ID:1542655

Pärschke, Ekaterina M. ^[1]; Wang, Yao ^[2]; Moritz, Brian ^[3]; Devereaux, Thomas P. ^[4]; Chen, Cheng-Chien ^[1]; Wohlfeld, Krzysztof ^[5]

Univ. of Alabama, Birmingham, AL (United States). Dept. of Physics
Harvard Univ., Cambridge, MA (United States). Dept. of Physics
SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., CA (United States). Stanford Inst. for Materials and Energy Sciences
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
Univ. of Warsaw (Poland). Faculty of Physics, Inst. of Theoretical Physics

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

DOE Contract Number:: AC02-76SF00515; AC02-05CH11231

OSTI ID:: 1542655

Journal Information:: Physical Review. B, Vol. 99, Issue 20; ISSN 2469-9950

Country of Publication:: United States

Language:: English

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