期刊
PHYSICAL REVIEW B
卷 95, 期 4, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.95.045131
关键词
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资金
- China Scholarship Council
- Science Without Borders, Brazil
- DOE Grant [DE-FG02-04ER46111, DE-SC0014671]
- U.S. Department of Energy (DOE) [DE-FG02-04ER46111, DE-SC0014671] Funding Source: U.S. Department of Energy (DOE)
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-1/2Ni(1+) 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. 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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