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Register a new userWannier Permanent Wave Functions and Featureless Bosonic Mott Insulators on the 1/3 filled Kagome Lattice
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Added by
Siddharth Parameswaran
Publication date
2012
fields
Physics
and research's language is
English
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We study Bose-Hubbard models on tight-binding, non-Bravais lattices, with a filling of one boson per unit cell -- and thus fractional site filling. At integer filling of a unit cell neither symmetry breaking nor topological order is required, and in principle a trivial and featureless (i.e., symmetry-unbroken) insulator is allowed. We demonstrate by explicit construction of a family of wavefunctions that such a featureless Mott insulating state exists at 1/3 filling on the kagome lattice, and construct Hamiltonians for which these wavefunctions are exact ground states. We briefly comment on the experimental relevance of our results to cold atoms in optical lattices. Such wavefunctions also yield 1/3 magnetization plateau states for spin models in an applied field. The featureless Mott states we discuss can be generalized to any lattice for which symmetric exponentially localized Wannier orbitals can be found at the requisite filling, and their wavefunction is given by the permanent over all Wannier orbitals.
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Within the Landau paradigm, phases of matter are distinguished by spontaneous symmetry breaking. Implicit here is the assumption that a completely symmetric state exists: a paramagnet. At zero temperature such quantum featureless insulators may be forbidden, triggering either conventional order or topological order with fractionalized excitations. Such is the case for interacting particles when the particle number per unit cell, f, is not an integer. But, can lattice symmetries forbid featureless insulators even at integer f? An especially relevant case is the honeycomb (graphene) lattice --- where free spinless fermions at f=1 (the two sites per unit cell mean f=1 is half filling per site) are always metallic. Here we present wave functions for bosons, and a related spin-singlet wave function for spinful electrons, on the f=1 honeycomb, and demonstrate via quantum to classical mappings that they do form featureless Mott insulators. The construction generalizes to symmorphic lattices at integer f in any dimension. Our results explicitly demonstrate that in this case, despite the absence of a non-interacting insulator at the same filling, lack of order at zero temperature does not imply fractionalization.
We develop a strong coupling approach towards quantum magnetism in Mott insulators for Wannier obstructed bands. Despite the lack of Wannier orbitals, electrons can still singly occupy a set of exponentially-localized but nonorthogonal orbitals to minimize the repulsive interaction energy. We develop a systematic method to establish an effective spin model from the electron Hamiltonian using a diagrammatic approach. The nonorthogonality of the Mott basis gives rise to multiple new channels of spin-exchange (or permutation) interactions beyond Hartree-Fock and superexchange terms. We apply this approach to a Kagome lattice model of interacting electrons in Wannier obstructed bands (including both Chern bands and fragile topological bands). Due to the orbital nonorthogonality, as parameterized by the nearest neighbor orbital overlap $g$, this model exhibits stable ferromagnetism up to a finite bandwidth $Wsim U g$, where $U$ is the interaction strength. This provides an explanation for the experimentally observed robust ferromagnetism in Wannier obstructed bands. The effective spin model constructed through our approach also opens up the possibility for frustrated quantum magnetism around the ferromagnet-antiferromagnet crossover in Wannier obstructed bands.
Within this paper we outline a method able to generate truly minimal basis sets which describe either a group of bands, a band, or even just the occupied part of a band accurately. These basis sets are the so-called NMTOs, Muffin Tin Orbitals of order N. For an isolated set of bands, symmetrical orthonormalization of the NMTOs yields a set of Wannier functions which are atom-centered and localized by construction. They are not necessarily maximally localized, but may be transformed into those Wannier functions. For bands which overlap others, Wannier-like functions can be generated. It is shown that NMTOs give a chemical understanding of an extended system. In particular, orbitals for the pi and sigma bands in an insulator, boron nitride, and a semi-metal, graphite, will be considered. In addition, we illustrate that it is possible to obtain Wannier-like functions for only the occupied states in a metallic system by generating NMTOs for cesium. Finally, we visualize the pressure-induced s to d transition.
We study the electronic properties of GaV4S8 (GVS) and GaTaSe8 (GTS), two distant members within the large family of chalcogenides AM4X8, with A={Ga, Ge}, M={V, Nb, Ta, Mo} and X={S, Se}. While all these compounds are Mott insulators, their ground state show many types of magnetic order, with GVS being ferromagnetic and GTS non-magnetic. Based on their bandstructures, calculated with Density Functional Theory methods, we compute an effective tight binding Hamiltonian in a localised Wannier basis set, for each one of the two compounds. The localised orbitals provide a very accurate representation of the bandstructure, with hopping amplitudes that rapidly decrease with distance. We estimate the super-exchange interactions and show that the Coulomb repulsion with the Hunds coupling may account the for the different ground states observed in GVS and GTS. Our localised Wannier basis provides a starting point for realistic Dynamical Mean Field Theory studies of strong correlation effects in this family compounds.
Interacting many-body systems combining confined and extended dimensions, such as ladders and few layer systems are characterized by enhanced quantum fluctuations, which often result in interesting collective properties. Recently two-dimensional bilayer systems, such as twisted bilayer graphene or ultracold atoms, have sparked a lot of interest because they can host rich phase diagrams, including unconventional superconductivity. Here we present a theoretical proposal for realizing high temperature pairing of fermions in a class of bilayer Hubbard models. We introduce a general, highly efficient pairing mechanism for mobile dopants in antiferromagnetic Mott insulators, which leads to binding energies proportional to $t^{1/3}$, where $t$ is the hopping amplitude of the charge carriers. The pairing is caused by the energy that one charge gains when retracing a string of frustrated bonds created by another charge. Concretely, we show that this mechanism leads to the formation of highly mobile, but tightly bound pairs in the case of mixed-dimensional Fermi-Hubbard bilayer systems. This setting is closely related to the Fermi-Hubbard model believed to capture the physics of copper oxides, and can be realized by currently available ultracold atom experiments.
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