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

Guo, H. -M.; Mendes-Santos, T.; Pickett, W. E.; Scalettar, R. T.

doi:10.1103/PhysRevB.95.045131

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

Abstract

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.

Authors:

Guo, H. -M. ^[1]; Mendes-Santos, T. ^[2]; Pickett, W. E. ^[3]; Scalettar, R. T. ^[3]

Beihang Univ., Beijing (China). Dept. of Physics; Univ. of California, Davis, CA (United States). Dept. of Physics
Univ. of California, Davis, CA (United States). Dept. of Physics; Univ. Federal do Rio de Janei, Rio de Janeiro (Brazil). Inst. de Fisica
Univ. of California, Davis, CA (United States). Dept. of Physics

Publication Date:: Sun Jan 08 00:00:00 EST 2017

Research Org.:: Univ. of California, Davis, CA (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1477009

Alternate Identifier(s):: OSTI ID: 1339772

Grant/Contract Number:: SC0014671; FG02-04ER46111

Resource 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)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    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., 2017. 
Web.  doi:10.1103/PhysRevB.95.045131.

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                    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.  https://doi.org/10.1103/PhysRevB.95.045131

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                    Guo, H. -M., Mendes-Santos, T., Pickett, W. E., and Scalettar, R. T. Sun .  
"Magnetic order-disorder transitions on a one-third-depleted square lattice".  United States.  https://doi.org/10.1103/PhysRevB.95.045131.  https://www.osti.gov/servlets/purl/1477009.

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@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         = {Sun Jan 08 00:00:00 EST 2017},

  month        = {Sun Jan 08 00:00:00 EST 2017}

}

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

Abstract

Citation Formats

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Convergent Expansions for Properties of the Heisenberg Model for CaV 4 O 9 journal, September 1996

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Charge and spin ordering in La 2 − x Sr x NiO 4.00 with x =0.135 and 0.20 journal, May 1995

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Designer Dirac fermions and topological phases in molecular graphene journal, March 2012

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Unconventional superconductivity on honeycomb lattice: Theory of Kekule order parameter journal, July 2010

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Colossal magnetoresistance observed in Monte Carlo simulations of the one- and two-orbital models for manganites
journal, June 2006

Phase Diagram of Depleted Heisenberg Model for Ca $V_{4}$ $O_{9}$
journal, May 1996

Ground-state and finite-temperature signatures of quantum phase transitions in the half-filled Hubbard model on a honeycomb lattice
journal, August 2005

Simultaneous Ordering of Holes and Spins in ${La}_{2}$ Ni $O_{4.125}$
journal, August 1994

Absence of a Spin Liquid Phase in the Hubbard Model on the Honeycomb Lattice
journal, December 2012

The Ground State of Quasi-One-Dimensional Heisenberg Antiferromagnets
journal, September 1989