Simple 1D chain with Hubbard-type interactions#

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Band structure of a simple 1D chain with hopping parameter \(t\) and repulsive Hubbard-type interaction of strength \(U/t=5.0\). The band structure was obtained by means of Cluster Perturbation Theory (CPT) with a cluster size of \(M_C = 18\) lattice sites. The band structure features a Mott gap and the separation of the dispersing features into spin and charge excitations.#

Effective 1D model of a Transpolyacetylene with Hubbard-type interactions#

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Band structure of an effective lattice model for Transpolyacetylene molecules. This effective model is also known as the Su-Schrieffer-Heeger chain. Here we plot the band structure of the non-interacting model (\(U/t=0\)) derived from CPT with cluster size \(M_C=8\). The band structure displays two bands, the binding one, with energies below the Fermi energy \(E_F=0\) and the non-binding one.#

../../../_images/Spectral_Function_TPA_MC8_64_U1.0_EOM1_P200.png

Here we plot the band structure of the Transpolyacetylene model with interaction strength \(U/t=1.0\) derived from CPT with cluster size \(M_C=8\). The impact of the artificial broadening \(\eta\) of the self-energy has been reduced via an approach employing equations of motion.#

../../../_images/Spectral_Function_TPA_MC8_64_U5.0_EOM1_P200.png

Band structure of the Transpolyacetylene model with interaction strength \(U/t=5.0\) derived from CPT with cluster size \(M_C=8\). We observe significant broadening of the spectral weight around the \(\Gamma\) point as well as a shift of the lower band to energies above the Fermi energy.#

1D Diamond chain with Hubbard-type interactions#

../../../_images/Spectral_Function_1D_DIAMOND_M6_64_U0.0_EOM1_P200.png

Band structure of a one-dimensional diamond chain calculated with CPT using a cluster of \(M_C=6\) lattice sites. The chain features three orbitals per single unit cell. The resulting band structure at interaction strength \(U/t=0.0\) consists of two dispersing bands enclosing a flat band located at the Fermi surface with a threefold degeneracy at the \(X\) symmetry points.#

../../../_images/Spectral_Function_1D_DIAMOND_M6_64_U1.0_EOM1_P200.png

The band structure at interaction strength \(U/t=1.0\) still consists of two dispersing bands enclosing a flat band located at the Fermi surface with a threefold degeneracy at the \(X\) symmetry points, albeit with slightly increased broadening.#

../../../_images/Spectral_Function_1D_DIAMOND_M6_64_U5.0_EOM1_P200.png

Band structure for interaction strength \(U/t=5.0\). We observe a significant broadening of the dispersive bands. The flat band appears to have split into two bands of reduced spectral weight symmetrically above and below the Fermi energy. The degeneracy at the symmetry points \(X\) has been lifted.#

1D Lieb chain with Hubbard-type interactions#

../../../_images/Spectral_Function_1D_LIEB_M18_64_U0.0_EOM1_P200.png

Band structure of a one-dimensional Lieb chain calculated with CPT using a cluster of \(M_C=6\) lattice sites. The chain features three orbitals per single unit cell. The resulting band structure at interaction strengths \(U/t=0\) and \(U/t=1.0\) consists of two dispersing bands enclosing a flat band located at the Fermi surface.#

../../../_images/Spectral_Function_1D_LIEB_M12_64_U1.0_EOM1_P150.png

The band structure at interaction strength \(U/t=1.0\) still consists of two dispersing bands enclosing a flat band located at the Fermi surface with a threefold degeneracy at the \(X\) symmetry points, albeit with slightly increased broadening.#

../../../_images/Spectral_Function_1D_LIEB_M12_64_U5.0_EOM1_P150.png

Band structure for interaction strength \(U/t=5.0\). We observe a significant broadening of the dispersive bands. The flat band appears to have split into two sections of significantly broadened spectral weight symmetrically above and below the Fermi energy.#

2D Square lattice with Hubbard-type interactions#

../../../_images/Spectral_Function_2D_SQUARE_M4_64_U0.0_EOM1_P200.png

Band structure of the non-interacting dimensional square lattice. The band structure was calculated with CPT using a \(M_C = 2\times 2\) cluster. The impact of the artificial broadening of the self-energy has been reduced via an approach equations of motion approach. The band structure features cosine bands in \(x\)- and \(y\)-direction.#

../../../_images/Spectral_Function_2D_SQUARE_M4_64_U1.0_EOM1_P200.png

Band structure for repulsive interaction \(U/t = 1.0\). We observe slight broadening over the entire Brillouin zone and extensive broadening around the symmetry points \(X\) and half-way between the symmetry points \(M\) and \(\Gamma\).#

../../../_images/Spectral_Function_2D_SQUARE_M4_64_U5.0_EOM1_P200.png

Band structure for strong repulsive interaction \(U/t = 5.0\). A Mott gap has developed at the symmetry points \(X\) and on the k-point path between \(M\) and \(\Gamma\).#

Graphene with Hubbard-type interactions#

../../../_images/Spectral_Function_GRAPHENE_M8_64_U0.0_EOM1_P200.png

Band structure of the non-interacting honeycomb lattice of Graphene with Graphene specific hopping parameters \(t=2.6\) eV. At the symmetry points \(K (H)\) we observe the well-known Dirac-cone.#

../../../_images/Spectral_Function_GRAPHENE_M8_64_U2.6_EOM1_P200.png

Band structure of the honeycomb lattice of Graphene with a Hubbard-type interaction of strength \(U/t=1.o\) and Graphene specific hopping parameters \(t=2.6\) eV. At the symmetry points \(K (H)\) we observe the well-known Dirac-cone.#

../../../_images/Spectral_Function_GRAPHENE_M8_64_U10.4_EOM1_P200.png

Band structure of the honeycomb lattice of Graphene with a Hubbard-type interaction of strength \(U/t=4.0\) and Graphene specific hopping parameters \(t=2.6\) eV. The Dirac-cone has given way to a gap.#

Lieb lattice with Hubbard-type interactions#

../../../_images/Spectral_Function_2D_LIEB_M12_64_U0.0_EOM1_P200.png

Band structure of the Lieb lattice without interaction and cluster size \(M_C=12\). This lattice features three sites per single unitcell at \((0,0)\), \((0, 0.5)\), \((0.5, 0)\). The band structure exhibits the characteristic flat-band crossing the cone formed by the two dispersing bands at the \(S\) symmetry points.#

../../../_images/Spectral_Function_2D_LIEB_M12_64_U5.0_EOM1_P200.png

Band structure of the Lieb lattice with a repulsive Hubbard-type interaction of strength \(U/t=5.0\). The crossing of the dispersing bands has been replaced by a Mott gap at the symmetry points \(S\) and the flat band has split into two significantly broadened regions of spectral weight above and below the Fermi energy.#

Kagome lattice with Hubbard-type interactions#

../../../_images/Spectral_Function_KAGOME_M12_64_U0.0_EOM1_P200.png

Band structure of the non-interacting Kagome lattice. This lattice features three sites per single unitcell at \((0,0)\), \((0.5, 0.0)\), \((0.25, 0.433)\). The band structure features two crossing dispersing bands and a flat band above the higher dispersing band.#

../../../_images/Spectral_Function_KAGOME_M12_64_U1.0_EOM1_P200.png

Band structure of the Kagome lattice with Hubbard-type interaction of strength \(U/t=1.0\) and cluster size \(M_C=12\). We observe increased broadening for the flat band and the lower dispersing band.#

../../../_images/Spectral_Function_KAGOME_M12_64_U5.0_EOM1_P200.png

Band structure of the Kagome lattice with Hubbard-type interaction of strength \(U/t=5.0\) and cluster size \(M_C=12\). We observe very strong broadening across the entire spectrum, but particularly for the flat band.#

Dice lattice with Hubbard-type interactions#

../../../_images/Spectral_Function_2D_DICE_M12_64_U0.0_EOM1_P200.png

Band structure of the Dice lattice with Hubbard-type interaction of strength \(U/t=0.0\) and cluster size \(M_C=12\). We find a flat band at the Fermi energy.#

../../../_images/Spectral_Function_2D_DICE_M12_64_U1.0_EOM1_P200.png

Band structure of the Dice lattice with Hubbard-type interaction of strength \(U/t=1.0\) and cluster size \(M_C=12\). The spectral weight of the flat band is now significantly broadened.#

../../../_images/Spectral_Function_2D_DICE_M12_64_U5.0_EOM1_P200.png

Band structure of the Dice lattice with Hubbard-type interaction of strength \(U/t=5.0\) and cluster size \(M_C=12\). There is broadening also for the dispersing bands, while the flat band has split into two regions of spectral weight.#