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Orbital Frustration and Emergent Flat Bands

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 Added by Zachariah Addison
 Publication date 2021
  fields Physics
and research's language is English




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We expand the concept of frustration in Mott insulators and quantum spin liquids to metals with flat bands. We show that when inter-orbital hopping $t_2$ dominates over intra-orbital hopping $t_1$, in a multiband system with strong spin-orbit coupling $lambda$, electronic states with a narrow bandwidth $Wsim t_2^2/lambda$ are formed compared to a bandwidth of order $t_1$ for intra-orbital hopping. We demonstrate the evolution of the electronic structure, Berry phase distributions for time-reversal and inversion breaking cases, and their imprint on the optical absorption, in a tight binding model of $d$-orbital hopping on a honeycomb lattice. Going beyond quantum Hall effect and twisted bilayer graphene, we provide an alternative mechanism and a richer materials platform for achieving flat bands poised at the brink of instabilities toward novel correlated and fractionalized metallic phases.



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In a partially filled flat Bloch band electrons do not have a well defined Fermi surface and hence the low-energy theory is not a Fermi liquid. Neverethless, under the influence of an attractive interaction, a superconductor well described by the Bardeen-Cooper-Schrieffer (BCS) wave function can arise. Here we study the low-energy effective Hamiltonian of a generic Hubbard model with a flat band. We obtain an effective Hamiltonian for the flat band physics by eliminating higher lying bands via perturbative Schrieffer-Wolff transformation. At first order in the interaction energy we recover the usual procedure of projecting the interaction term onto the flat band Wannier functions. We show that the BCS wave function is the exact ground state of the projected interaction Hamiltonian and that the compressibility is diverging as a consequence of an emergent $SU(2)$ symmetry. This symmetry is broken by second order interband transitions resulting in a finite compressibility, which we illustrate for a one-dimensional ladder with two perfectly flat bands. These results motivate a further approximation leading to an effective ferromagnetic Heisenberg model. The gauge-invariant result for the superfluid weight of a flat band can be obtained from the ferromagnetic Heisenberg model only if the maximally localized Wannier functions in the Marzari-Vanderbilt sense are used. Finally, we prove an important inequality $D geq mathcal{W}^2$ between the Drude weight $D$ and the winding number $mathcal{W}$, which guarantees ballistic transport for topologically nontrivial flat bands in one dimension.
Although most quantum systems thermalize locally on short time scales independent of initial conditions, recent developments have shown this is not always the case. Lattice geometry and quantum mechanics can conspire to produce constrained quantum dynamics and associated glassy behavior, a phenomenon that falls outside the rubric of the eigenstate thermalization hypothesis. Constraints fragment the many-body Hilbert space due to which some states remain insulated from others and the system fails to attain thermal equilibrium. Such fragmentation is a hallmark of geometrically frustrated magnets with low-energy icelike manifolds exhibiting a broad range of relaxation times for different initial states. Focusing on the highly frustrated kagome lattice, we demonstrate these phenomena in the Balents-Fisher-Girvin Hamiltonian (easy-axis regime), and a three-coloring model (easy-plane regime), both with constrained Hilbert spaces. We study their level statistics and relaxation dynamics to develop a coherent picture of fragmentation in various limits of the XXZ model on the kagome lattice.
Crystal structure, magnetic susceptibility, and specific heat were measured in the normal cubic spinel compounds MnSc_2S_4 and FeSc_2S_4. Down to the lowest temperatures, both compounds remain cubic and reveal strong magnetic frustration. Specifically the Fe compound is characterized by a Curie-Weiss temperature Theta_{CW}= -45 K and does not show any indications of order down to 50 mK. In addition, the Jahn-Teller ion Fe^{2+} is orbitally frustrated. Hence, FeSc_2S_4 belongs to the rare class of spin-orbital liquids. MnSc_2S_4 is a spin liquid for temperatures T > T_N approx 2 K.
In a flat Bloch band the kinetic energy is quenched and single particles cannot propagate since they are localized due to destructive interference. Whether this remains true in the presence of interactions is a challenging question because a flat dispersion usually leads to highly correlated ground states. Here we compute numerically the ground state energy of lattice models with completely flat band structure in a ring geometry. We find that the energy as a function of the magnetic flux threading the ring has a half-flux quantum $Phi_0/2 = hc/(2e)$ period, indicating that only bound pairs of particles with charge $2e$ are propagating, while single quasiparticles with charge $e$ remain localized. We show analytically in one dimension that in fact the whole many-body spectrum has the same periodicity. Our analytical arguments are valid for both bosons and fermions, for generic interactions respecting some symmetries of the lattice and at arbitrary temperatures. Moreover we construct an extensive number of exact conserved quantities for the one dimensional lattice models. These conserved quantities are associated to the occupation of localized single quasiparticle states. Our results imply that in lattice models with flat bands preformed pairs dominate transport even above the critical temperature of the transition to a superfluid state.
Spontaneous charge ordering occurring in correlated systems may be considered as a possible route to generate effective lattice structures with unconventional couplings. For this purpose we investigate the phase diagram of doped extended Hubbard models on two lattices: (i) the honeycomb lattice with on-site $U$ and nearest-neighbor $V$ Coulomb interactions at $3/4$ filling ($n=3/2$) and (ii) the triangular lattice with on-site $U$, nearest-neighbor $V$, and next-nearest-neighbor $V$ Coulomb interactions at $3/8$ filling ($n=3/4$). We consider various approaches including mean-field approximations, perturbation theory, and variational Monte Carlo. For the honeycomb case (i), charge order induces an effective triangular lattice at large values of $U/t$ and $V/t$, where $t$ is the nearest-neighbor hopping integral. The nearest-neighbor spin exchange interactions on this effective triangular lattice are antiferromagnetic in most of the phase diagram, while they become ferromagnetic when $U$ is much larger than $V$. At $U/tsim (V/t)^3$, ferromagnetic and antiferromagnetic exchange interactions nearly cancel out, leading to a system with four-spin ring-exchange interactions. On the other hand, for the triangular case (ii) at large $U$ and finite $V$, we find no charge order for small $V$, an effective kagome lattice for intermediate $V$, and one-dimensional charge order for large $V$. These results indicate that Coulomb interactions induce [case (i)] or enhance [case(ii)] emergent geometrical frustration of the spin degrees of freedom in the system, by forming charge order.
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