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Title: Effects of interaction strength, doping, and frustration on the antiferromagnetic phase of the two-dimensional Hubbard model

Abstract

Recent quantum-gas microscopy of ultracold atoms and scanning tunneling microscopy of the cuprates reveal new detailed information about doped Mott antiferromagnets, which can be compared with calculations. Using cellular dynamical mean-field theory, we map out the antiferromagnetic (AF) phase of the two-dimensional Hubbard model as a function of interaction strength U, hole doping δ, and temperature T . The Néel phase boundary is nonmonotonic as a function of U and δ. Frustration induced by second-neighbor hopping reduces Néel order more effectively at small U. The doped AF is stabilized at large U by kinetic energy and at small U by potential energy. The transition between the AF insulator and the doped metallic AF is continuous. At large U, we find in-gap states similar to those observed in scanning tunneling microscopy. Finally, we predict that, contrary to the Hubbard bands, these states are only slightly spin polarized.

Authors:
 [1];  [2];  [3];  [1];  [4]
  1. Univ. of London, Egham, Surrey (United Kingdom). Dept. of Physics, Royal Holloway
  2. Univ. de Sherbrooke, Sherbrooke, QC (Canada). Dept. de Physique, Institut Quantique, and Regroupement Quebecois sur les Materiaux de Pointe
  3. Brookhaven National Lab. (BNL), Upton, NY (United States). Computational Science Initiative
  4. Univ. de Sherbrooke, Sherbrooke, QC (Canada). Dept. de Physique, Institut Quantique, and Regroupement Quebecois sur les Materiaux de Pointe; Canadian Inst. for Advanced Research, Toronto, ON (Canada)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE), International Nuclear Energy Policy and Cooperation (NE-6)
OSTI Identifier:
1425185
Report Number(s):
BNL-203252-2018-JAAM
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US1802061
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 24; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Fratino, L., Charlebois, M., Sémon, P., Sordi, G., and Tremblay, A. -M. S. Effects of interaction strength, doping, and frustration on the antiferromagnetic phase of the two-dimensional Hubbard model. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.96.241109.
Fratino, L., Charlebois, M., Sémon, P., Sordi, G., & Tremblay, A. -M. S. Effects of interaction strength, doping, and frustration on the antiferromagnetic phase of the two-dimensional Hubbard model. United States. doi:10.1103/PhysRevB.96.241109.
Fratino, L., Charlebois, M., Sémon, P., Sordi, G., and Tremblay, A. -M. S. Tue . "Effects of interaction strength, doping, and frustration on the antiferromagnetic phase of the two-dimensional Hubbard model". United States. doi:10.1103/PhysRevB.96.241109. https://www.osti.gov/servlets/purl/1425185.
@article{osti_1425185,
title = {Effects of interaction strength, doping, and frustration on the antiferromagnetic phase of the two-dimensional Hubbard model},
author = {Fratino, L. and Charlebois, M. and Sémon, P. and Sordi, G. and Tremblay, A. -M. S.},
abstractNote = {Recent quantum-gas microscopy of ultracold atoms and scanning tunneling microscopy of the cuprates reveal new detailed information about doped Mott antiferromagnets, which can be compared with calculations. Using cellular dynamical mean-field theory, we map out the antiferromagnetic (AF) phase of the two-dimensional Hubbard model as a function of interaction strength U, hole doping δ, and temperature T . The Néel phase boundary is nonmonotonic as a function of U and δ. Frustration induced by second-neighbor hopping reduces Néel order more effectively at small U. The doped AF is stabilized at large U by kinetic energy and at small U by potential energy. The transition between the AF insulator and the doped metallic AF is continuous. At large U, we find in-gap states similar to those observed in scanning tunneling microscopy. Finally, we predict that, contrary to the Hubbard bands, these states are only slightly spin polarized.},
doi = {10.1103/PhysRevB.96.241109},
journal = {Physical Review B},
number = 24,
volume = 96,
place = {United States},
year = {2017},
month = {12}
}

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Cited by: 4 works
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Figures / Tables:

FIG. 1 FIG. 1: (a) AF phase of the 2D Hubbard model in the U-T-δ space, for t ′ = −0.1. (b) T-U cut at δ = 0. (c) T-δ cut for U = 5 and (d) U = 12. (e) δ-U cut for T = 1/10. The magnitude of mz ismore » color coded [see SM [35] for mz(U ) and mz(δ) curves at different temperatures]. The paramagnetic to AF phase boundary is drawn where mz < 0.045. The red cross in (b) and (e) indicates the position of the Mott critical endpoint (UMIT,TMIT) in the underlying normal phase.« less

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.