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Title: Magnetic order-disorder transitions on a one-third-depleted square lattice

Quantum Monte Carlo simulations are used to study the magnetic and transport properties of the Hubbard Model, and its strong coupling Heisenberg limit, on a one-third depleted square lattice. This is the geometry occupied, after charge ordering, by the spin-$$\frac{1}{2}$$ Ni 1+ atoms in a single layer of the nickelate materials La 4Ni 3O 8 and (predicted) La 3Ni 2O 6. Our model is also a description of strained graphene, where a honeycomb lattice has bond strengths which are inequivalent. For the Heisenberg case, we determine the location of the quantum critical point (QCP) where there is an onset of long range antiferromagnetic order (LRAFO), and the magnitude of the order parameter, and then compare with results of spin wave theory. An ordered phase also exists when electrons are itinerant. Finally, in this case, the growth in the antiferromagnetic structure factor coincides with the transition from band insulator to metal in the absence of interactions.
Authors:
 [1] ;  [2] ;  [3] ;  [3]
  1. Beihang Univ., Beijing (China). Dept. of Physics; Univ. of California, Davis, CA (United States). Dept. of Physics
  2. Univ. of California, Davis, CA (United States). Dept. of Physics; Univ. Federal do Rio de Janei, Rio de Janeiro (Brazil). Inst. de Fisica
  3. Univ. of California, Davis, CA (United States). Dept. of Physics
Publication Date:
Grant/Contract Number:
SC0014671; FG02-04ER46111
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 4; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Univ. of California, Davis, CA (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1477009
Alternate Identifier(s):
OSTI ID: 1339772

Guo, H. -M., Mendes-Santos, T., Pickett, W. E., and Scalettar, R. T.. Magnetic order-disorder transitions on a one-third-depleted square lattice. United States: N. p., Web. doi:10.1103/PhysRevB.95.045131.
Guo, H. -M., Mendes-Santos, T., Pickett, W. E., & Scalettar, R. T.. Magnetic order-disorder transitions on a one-third-depleted square lattice. United States. doi:10.1103/PhysRevB.95.045131.
Guo, H. -M., Mendes-Santos, T., Pickett, W. E., and Scalettar, R. T.. 2017. "Magnetic order-disorder transitions on a one-third-depleted square lattice". United States. doi:10.1103/PhysRevB.95.045131. https://www.osti.gov/servlets/purl/1477009.
@article{osti_1477009,
title = {Magnetic order-disorder transitions on a one-third-depleted square lattice},
author = {Guo, H. -M. and Mendes-Santos, T. and Pickett, W. E. and Scalettar, R. T.},
abstractNote = {Quantum Monte Carlo simulations are used to study the magnetic and transport properties of the Hubbard Model, and its strong coupling Heisenberg limit, on a one-third depleted square lattice. This is the geometry occupied, after charge ordering, by the spin-$\frac{1}{2}$ Ni1+ atoms in a single layer of the nickelate materials La4Ni3O8 and (predicted) La3Ni2O6. Our model is also a description of strained graphene, where a honeycomb lattice has bond strengths which are inequivalent. For the Heisenberg case, we determine the location of the quantum critical point (QCP) where there is an onset of long range antiferromagnetic order (LRAFO), and the magnitude of the order parameter, and then compare with results of spin wave theory. An ordered phase also exists when electrons are itinerant. Finally, in this case, the growth in the antiferromagnetic structure factor coincides with the transition from band insulator to metal in the absence of interactions.},
doi = {10.1103/PhysRevB.95.045131},
journal = {Physical Review B},
number = 4,
volume = 95,
place = {United States},
year = {2017},
month = {1}
}