We study single-particle properties of a spinless p-band correlated fermionic gas in an optical lattice by means of a variational cluster approach (VCA). The single-particle spectral function is almost flat at half-filling and develops a strongly dispersive behavior at lower fillings. The competition between different orbital orderings is studied as a function of filling. We observe that an ``antiferromagnetic'' orbital order develops at half-filling and is destroyed by doping the system evolving into a disordered orbital state. At low filling limit, we discuss the possibility of ``ferromagnetic'' orbital order by complementing the VCA result with observations based on a trial wave function. We also study the behavior of the momentum distribution for different values of the on-site interaction. Finally, we introduce an integration contour in the complex plane which allows to efficiently carry out Matsubara-frequency sums.
Ground state properties of spinless, extended Falicov-Kimball model (FKM) on a finite size triangular lattice with orbital magnetic field normal to the lattice are studied using numerical diagonalization and Monte-Carlo simulation methods. We show that the ground state configurations of localized electrons strongly depend on the magnetic field. Magnetic field induces a metal to insulator transition accompanied by segregated phase to an ordered regular phase except at density $n_f = 1/2$ of localized electrons. It is proposed that magnetic field can be used as a new tool to produce segregated p…
What kind of lattice Hamiltonian manifestly has an ordered state with spontaneous orbital currents? We consider interacting spinless fermions on an array of square plaquettes, connected by weak hopping; the array geometry may be a 2 x 2L ladder, a 2 x 2 x 2L "tube", or a 2L x 2L square grid. At half filling, we derive an effective Hamiltonian in terms of pseudospins, of which one component represents orbital currents, and find the conditions sufficient for orbital current long-range order. We consider spinfull variants of the aforesaid spinless models and make contact with other spinfull model…
An extended, spinless Falicov-Kimball model in the presence of perpendicular magnetic field is investigated employing Hartree-Fock self-consistent mean-field theory in two dimensions. In the presence of an orbital field the hybridization-dependence of the excitonic average ${ Δ=<{{d_i}^\dagger} {f_i}>}$ is modified. The exciton responses in subtle different ways for different chosen values of the magnetic flux consistent with Hofstadter's well-known spectrum. The excitonic average is suppressed by the application of magnetic field. We further examine the effect of Coulomb interaction and $f$-e…
A gas of strongly interacting spinless p-orbital fermionic atoms in 2D optical lattices is proposed and studied. Several interesting new features are found. In the Mott limit on a square lattice, the gas is found to be described effectively by an orbital exchange Hamiltonian equivalent to a pseudospin-1/2 XXZ model. For a triangular, honeycomb, or Kagome lattice, the orbital exchange is geometrically frustrated and described by a new quantum 120 degree model. We determine the orbital ordering on the Kagome lattice, and show how orbital wave fluctuations select ground states via the order by di…
We study the quantum phases of a three-color Hubbard model that arises in the dynamics of the p-band orbitals of spinless fermions in an optical lattice. Strong, color-dependent interactions are induced by an optical Feshbach resonance. Starting from the microscopic scattering properties of ultracold atoms, we derive the orbital exchange constants at 1/3 filling on the cubic optical lattice. Using this, we compute the phase diagram in a Gutzwiller ansatz. We find novel phases with 'axial orbital order' in which pz and px + ipy (or px - ipy) orbitals alternate.
Both theoretical considerations and experimental data point to a more complicated nature of the valence hole states in doped cuprates than it is predicted by Zhang-Rice model. Actually, we deal with a competition of conventional hybrid Cu 3d-O 2p $b_{1g}\propto d_{x^2 -y^2}$ state and purely oxygen nonbonding state with $e_{u}x,y \propto p_{x,y}$ symmetry. The latter reveals a non-quenched Ising-like orbital moment that gives rise to a novel spinless purely oxygen scenario of the magnetic response in doped cuprates with the oxygen localized orbital magnetic moments of the order of tenths of Bo…
Starting from the two-orbital Kondo-lattice model with classical t_2g spins, an effective spinless fermion model is derived for strong Hund coupling J_H with a projection technique. The model is studied by Monte Carlo simulations and analytically using a uniform hopping approximation. The results for the spinless fermion model are in remarkable agreement with those of the original Kondo-lattice model, independent of the carrier concentration, and even for moderate Hund coupling J_H. Phase separation, the phase diagram in uniform hopping approximation, as well as spectral properties including t…
Multipolar orderings in degenerate orbital systems offer unique opportunities for emergent topological phases. The phase diagram of interacting spinless fermions in a $p$-band diamond lattice at unit filling is first studied to elucidate the essential role of orbital multipolar orderings in the evolution of multifold degenerate band nodes. The free band structure around the Brillouin zone center is described by two quadratic band nodes each with a threefold degeneracy, which are spanned by the bonding and anti-bonding $p$-orbital multiplets, respectively. Upon switching on interactions, the tr…
We propose a simple but novel scheme to realize the Kondo effect with ultracold atoms. Our system consists of a Fermi sea of spinless fermions interacting with an impurity atom of different species which is confined by an isotropic potential. The interspecies attraction can be tuned with an $s$-wave Feshbach resonance so that the impurity atom and a spinless fermion form a bound dimer that occupies a threefold-degenerate $p$ orbital of the confinement potential. Many-body scatterings of this dimer and surrounding spinless fermions occur with exchanging their angular momenta and thus exhibit th…
We explore the existence of the collective orbital excitations, orbitons, in the canonical orbital system KCuF$_3$. Using the Cu $L_3$-edge resonant inelastic X-ray scattering we show that the non-dispersive high-energy peaks result from the Cu$^{2+}$ $dd$ orbital excitations. These high-energy modes show good agreement with the {\it ab-initio} quantum chemistry calculation based on a single cluster, indicating that the $dd$ excitations are highly localized. At the same time, the low-energy excitations present clear dispersion. They match extremely well with the two-spinon continuum following …
Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied using a spinless three-band Hubbard model for 3d electrons on the B sites with the Hartree-Fock approximation and the exact diagonalisation method. Complex-orbital, e.g., 1/sqrt(2)[|zx> + i |yz>], ordered (COO) states having noncollinear orbital moments ~ 0.4 mu_B on the B sites are obtained with the cubic lattice structure of the high-temperature phase. The COO state is a novel form of magnetic ordering within the orbital degree of freedom. It arises from the formation of Hund's second rule states of spinless pseudo…
We develop a framework to describe a wide class of flat-band models, with and without a translational symmetry, by using "molecular orbitals" introduced in the prior work (HATSUGAI Y. and MARUYAMA I., \textit{EPL}, \textbf{95}, (2011) 20003). Using the molecular-orbital representation, we shed new light on the band-touching problem between flat and dispersive bands. We show that the band touching occurs as a result of collapse, or the linearly dependent nature, of molecular orbitals. Conversely, we can gap out the flat bands by modulating the molecular orbitals so that they do not collapse, wh…
Motivated by experimental and theoretical interest in realizing multipolar orders in $d$-orbital materials, we discuss the quantum magnetism of $J\!=\!2$ ions which can be realized in spin-orbit coupled oxides with $5d^2$ transition metal ions. Based on the crystal field environment, we argue for a splitting of the $J\!=\!2$ multiplet, leading to a low lying non-Kramers doublet which hosts quadrupolar and octupolar moments. We discuss a microscopic mechanism whereby the combined perturbative effects of orbital repulsion and antiferromagnetic Heisenberg spin interactions leads to ferro-octupola…
The properties of a dilute electron gas, coupled to the lattice degrees of freedom, are studied and compared with the properties of an electron gas at half-filling, where spinless fermions with two orbitals per lattice site are considered. The simplest model which includes both the local electron-lattice interaction of the Jahn-Teller type and the electronic correlations is the $E\otimesβ$-Jahn-Teller-Hubbard model. We analyze the formation and stability of Jahn-Teller polarons and bipolarons, respectively. Our approach is based on a hopping expansion in the strong-coupling regime. The results…
The tractability of the Sachdev-Ye-Kitaev (SYK) model at large $N$ limit makes it ideal to theoretically study its chaotic non-Fermi liquid behavior and holographic duality properties. We show that the complex SYK Hamiltonian emerges from a system of spinless itinerant fermions in an optical Kagome lattice with a strong disorder. We discuss the regimes supporting flat band spectra in a Kagome lattice, where the system can be non-dispersive. Random interaction between non-dispersive fermions is induced due to randomly distributed immobile impurities in the optical lattice, that exclude the pres…
Complex lattices provide a versatile ground for fascinating quantum many-body physics. Here, we propose an exotic mechanics for generating orbital frustration in hexagonal lattices. We study two-component (pseudospin-$1/2$) Bose gases in $p$-orbital bands of two-dimensional hexagonal lattices, and find that the system exhibits previously untouched orbital frustration as a result of the interplay of spin and orbital degrees of freedom, in contrast to normal Ising-type orbital ordering of spinless $p$-orbital band bosons in two-dimensional hexagonal lattices. Based on the classification by symme…
We study the ground state properties of the interacting spinless fermions in the $p_{x,y}$-orbital bands in the two dimensional honeycomb optical lattice, which exhibit different novel features from those in the $p_z$-orbital system of graphene. In addition to two dispersive bands with Dirac cones, the tight-binding band structure exhibits another two completely flat bands over the entire Brillouin zone. With the realistic sinusoidal optical potential, the flat bands acquire a finite but much smaller band width compared to the dispersive bands. The band flatness dramatically enhanced interacti…
On the basis of the "molecular-orbital" representation which describes generic flat-band models, we propose a systematic way to construct a class of flat-band models with finite-range hoppings that have topological natures. In these models, the topological natures are encoded not into the flat band itself but into the dispersive bands touching the flat band. Such a band structure may become a source of exotic phenomena arising from the combination of flat bands, topology and correlations.
We study spinless fermions with nearest-neighbor repulsive interactions ($t$-$V$ model) on the two-dimensional three-band Lieb lattice. At half-filling, the free electronic band structure consists of a flat band at zero energy and a single cone with linear dispersion. The flat band is expected to be unstable upon inclusion of electronic correlations, and a natural channel is charge order. However, due to the three-orbital unit cell, commensurate charge order implies an imbalance of electron and hole densities and therefore doping away from half-filling. Our numerical results show that below a …
Orbital Order and Superconductivity in Bilayer Nickelate Compounds
Max Planck Institute for Solid State Research（马克斯·普朗克固体的研究所）；Department of Condensed Matter Physics, Faculty of Science, Masaryk University（马萨里克大学理学院凝聚态物理系）
Orbital-lattice coupled excitation dynamics in orbitally degenerate correlated systems are examined. We present a theoretical framework, where both local vibronic excitations and superexchange-type inter-site interactions are dealt with on an equal footing. We generalize the spin-wave approximation so as to take local vibronic states into account. Present method is valid from weak to strong Jahn-Teller coupling magnitudes. Two characteristic excitation modes coexist; a low-energy dispersive mode and high-energy multi-peak mode. These are identified as a collective vibronic mode, and Flanck-Con…
The weakly interacting S=1/2 dimers system Sr3Cr2O8 has been investigated by powder neutron diffraction and inelastic neutron scattering. Our data reveal a structural phase transition below room temperature corresponding to an antiferro-orbital ordering with nearly 90 degrees arrangement of the occupied 3z^2-r^2 d-orbital. This configuration leads to a drastic reduction of the inter-dimer exchange energies with respect to the high temperature orbital-disorder state, as shown by a spin-dimer analysis of the super-superexchange interactions performed using the Extended Huckel Tight Binding metho…
We study a mixture of $N_{b}$ bosons with point hard-core boson-boson interactions and $N_{f}$ noninteracting spinless fermions with point hard-core boson-fermion interactions in 1D optical lattice with external harmonic confine potential. Using an extended Jordan-Winger transformation (JWT) which maps the hard-core Bose-Fermi mixture into two component noninteracting spinless fermions with hard-core interactions between them, we get the ground states of the system. Then we determine in details the one particle density matrix, density profile, momentum distribution, the natural orbitals and th…
We study orbital diamagnetism at zero temperature in $(2+1)$-dimensional Dirac fermions with a short-range interaction which exhibits a quantum phase transition to a charge density wave (CDW) phase. We introduce orbital magnetic fields into spinless Dirac fermions on the $π$-flux square lattice, and analyze them by using infinite density matrix renormalization group. It is found that the diamagnetism remains intact in the Dirac semimetal regime as a result of a non-trivial competition between the enhanced Fermi velocity and magnetic-field-induced mass gap, while it is monotonically suppressed …
We explore the propagation of a single hole in the quantum compass model, whose nematic ground state is given by mutually decoupled antiferromagnetic chains. The compass model can be seen as the strong-coupling limit of a spinless two-band Hubbard model, which we study here using mean field theory and the variational cluster approach. Due to the symmetries of the compass model, the inherent disorder along one lattice direction turns out not to affect hole motion and doping a hole consequently does not lift the subextensive degeneracy of the nematic phase. In order to broaden and deepen underst…
Ultracold Fermi gases with synthetic gauge field represent an excellent platform to study the combined effect of lattice frustration and an effective magnetic flux close to one flux quantum per particle. The minimal theoretical model to accomplish this task is a system of spinless noninteracting fermions on a triangular two-chain flux ladder. In this paper we consider this model close to half-filling, with interchain hopping amplitudes alternating along the zigzag bonds of the ladder and being small. In such setting qualitative changes in the ground state properties of the model, most notably …
Tellurium is a gyrotropic, p-type Weyl semiconductor with remarkable electronic, optical, and transport properties. It has been argued that some of these properties might stem from Weyl nodes at crossing points in the band structure, and their nontrivial topological textures. However, Weyl nodes in time-reversal invariant semiconductors are split up in energy, rather than in momentum, and located deep below (far above) the top (bottom) of the valence (conduction) band, challenging such an interpretation. Here, instead, we use a 4-band kp Hamiltonian for $p-$type tellurium to show how the k-dep…
Using density functional theory calculations including an on-site Coulomb term, we explore electronic and possibly topologically nontrivial phases in $3d$ transition metal oxide honeycomb layers confined in the corundum structure ($α$-Al$_2$O$_3$) along the [0001] direction. In most cases the ground state is a trivial antiferromagnetic Mott insulator, often with distinct orbital or spin states compared to the bulk phases. With imposed symmetry of the two sublattices the ferromagnetic phases of Ti, Mn, Co and Ni exhibit a characteristic set of four bands, two relatively flat and two with a Dira…
We discuss the low-energy limit of three-orbital Kondo-lattice and Hubbard models describing $t_{2g}$ orbitals on a triangular lattice near half-filling. We analyze how very flat bands with non-trivial topological character, a Chern number C=1, arise both in the limit of infinite on-site interactions as well as in more realistic regimes. Exact diagonalization is then used to investigate fractional filling of an effective one-band spinless-fermion model including nearest-neighbor interaction $V$; it reveals signatures of fractional Chern insulators (FCIs) for several filling fractions. In addit…
We argue that many aspects of improper ferroelectric activity in orthorhombic manganites can be rationalized by considering the limit of infinite intra-atomic splitting between the majority- and minority-spin states (or the double exchange limit), which reduces the problem to the analysis of a spinless double exchange (DE) Hamiltonian. We apply this strategy to the low-energy model, derived from the first-principles calculations, and combine it with the Berry-phase theory of electric polarization. We start with the simplest two-orbital model, describing the behavior of the eg bands, and apply …
We propose a simple iterative algorithm to construct the optimal multi-configuration approximation of an $N$-fermion wave function. That is, $M\geq N $ single-particle orbitals are sought iteratively so that the projection of the given wave function in the $C_M^N$-dimensional configuration subspace is maximized. The algorithm has a monotonic convergence property and can be easily parallelized. The significance of the algorithm on the study of entanglement in a multi-fermion system and its implication on the multi-configuration time-dependent Hartree-Fock (MCTDHF) are discussed. The ground stat…
Recent experiments have shown that the reduced multilayer rare-earth (RE) nickel oxides of form RE$_{p+1}$Ni$_p$O$_{2p+2}$ may belong to the novel family of superconducting lanthanide nickelates. Here, the correlated electronic structure of Pr$_{4}$Ni$_3$O$_{8}$ and Nd$_{6}$Ni$_5$O$_{12}$ is studied by means of an advanced realistic many-body framework. It is revealed that the low-energy physics of both systems is dominated by an interplay of Ni-$d_{x^2-y^2}$ and Ni-$d_{z^2}$ degrees of freedom. Whilst the Ni-$d_{x^2-y^2}$ orbitals are always highly correlated near an (orbital-selective) Mott-…
