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

Journal Article · Sun Jan 08 00:00:00 EST 2017 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.95.045131· OSTI ID:1477009

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

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.

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

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

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

OSTI ID:: 1477009

Alternate ID(s):: OSTI ID: 1339772

Journal Information:: Physical Review B, Vol. 95, Issue 4; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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