Ferromagnetism beyond Lieb's theorem
arXiv:1610.03566 · doi:10.1103/PhysRevB.94.155107
Abstract
The noninteracting electronic structures of tight binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat bands. When a \emph{uniform} on-site Hubbard interaction is turned on, Lieb proved rigorously that at half filling () the ground state has a non-zero spin. In this paper we consider a `CuO lattice (also known as `Lieb lattice', or as a decorated square lattice), in which `-orbitals' occupy the vertices of the squares, while `-orbitals' lie halfway between two -orbitals. We use exact Determinant Quantum Monte Carlo (DQMC) simulations to quantify the nature of magnetic order through the behavior of correlation functions and sublattice magnetizations in the different orbitals as a function of and temperature. We study both the homogeneous (H) case, , originally considered by Lieb, and the inhomogeneous (IH) case, . For the H case at half filling, we found that the global magnetization rises sharply at weak coupling, and then stabilizes towards the strong-coupling (Heisenberg) value, as a result of the interplay between the ferromagnetism of like sites and the antiferromagnetism between unlike sites; we verified that the system is an insulator for all . For the IH system at half filling, we argue that the case falls under Lieb's theorem, provided they are positive definite, so we used DQMC to probe the cases and . We found that the different environments of and sites lead to a ferromagnetic insulator when ; by contrast, leads to to a metal without any magnetic ordering. In addition, we have also established that at density , strong antiferromagnetic correlations set in, caused by the presence of one fermion on each site.
10 pages, 14 figures
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