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Symmetry and spontaneous symmetry breaking of the Hubbard model on a square lattice ground state

In this paper we consider the simplified form that a recently introduced general operator description of the Hubbard model on the square lattice with $N_a^2\gg 1$ sites, effective transfer integral $t$, and onsite repulsion $U$ has in a suitable one- and two-electron subspace. Such an operator description is that consistent with the model exact global symmetry recently extended to $SO(3)\times SO(3)\times U(1)$. There is a large consensus that in the thermodynamic limit $N_a^2\rightarrow\infty$ long-range antiferromagnetic order occurs in the spin-density $m=0$ ground state of the half-filled Hubbard model on the square lattice. Here we find that the corresponding spontaneous symmetry breaking lowers the symmetry of such a state from $SO(3)\times SO(3)\times U(1)$ for $N_a^2\gg 1$ large but finite to $[U(2)\times U(1)]/Z_2^2 \equiv [SO(3)\times U(1)\times U(1)]/Z_2$ for $N_a^2\rightarrow\infty$. Moreover, we argue that the spin effective lattice being identical to the original lattice is a necessary condition for the occurrence of ground-state long-range antiferromagnetic order in the limit $N_a^2\rightarrow\infty$. Consistently, strong evidence is provided that for very small hole concentration $0<x\ll1$ the ground state has a short-range incommensurate-spiral spin order. Our results are of interest both for condensed-matter systems and ultra-cold fermionic atoms on an optical square lattice.

cond-mat.str-el↗

Physics of interface: Mott insulator barrier sandwiched between two metallic planes

We consider a heterostructure of a metal and a barrier with onsite correlation at half filling using unrestricted Hartree Fock. We find that above a certain value of correlation strength in the barrier planes, the system is a Mott insulator, while below this value the system still behaves like a gapless insulator. The energy spectrum is found to be very novel with the presence of multiple gaps. Thus the system remains non metallic for any finite value of correlation.

cond-mat.str-el↗

Comment on "Quantum phase transition in the four-spin exchange antiferromagnet" by V. N. Kotov, D.-X. Yao, A. H. Castro-Neto, and D. K. Campbell

In a recent paper [Phys. Rev. {\bf B80}, 174403 (2009)] Kotov {\it et al.} studied the paramagnetic-to-antiferromagnetic transition in the $J$-$Q$ model. Their findings were claimed to be in "fairly good agreement" with previous quantum Monte-Carlo (QMC) results. In this Comment we show that the above claim is misleading and in reality their phase transition point is not only far from the corresponding QMC value but also lies in a region of parameter space not yet explored in the literature. We also show that their reference dimer state is unstable against formation of a plaquette condensate, which could in part explain the large fluctuations they found.

cond-mat.str-el↗

Dimer Smectic in Extended Quantum Dimer Model -approach from pseudo S=1 Hamiltonian-

We extend Quantum Dimer Model (QDM) introduced by Rokhsar and Kivelson in such a way that the model includes resonance processes on larger loops. The strategy is to first construct a pseudo spin Hamiltonian which is defined not by the S =1/2 but by the S=1 representation and then establish the correspondence between the pseudo-spin-1 configurations and those of dimers. The standard QDM keeps only the lowest resonance processes for pairs of parallel dimers and its validity in describing the realistic spin systems is not obvious. Our extended QDM (EQDM) improves this point and contains a novel resonance term, which is equivalent to two successive actions of the familiar parallel dimer resonance. For a certain choice of the coupling constants, our model exhibits three exotic valence-bond phases (herringbone, checkerboard and 'dimer smectic') in the ground state, which meet at a triple point. The checkerboard phase has four-fold rotational symmetry, while the dimer smectic is characterized by partial ordering only in one of the two directions. In the dimer smectic phase, we investigate the dimer-dimer correlation by using an analogy to random walks.

cond-mat.str-el↗

Quantum criticality and correlations in the cuprate superconductors

A description of the electronic correlations contained in the Hubbard model on the square-lattice perturbed by very weak three-dimensional uniaxial anisotropy in terms of the residual interactions of charge $c$ fermions and spin-neutral composite two-spinon $s1$ fermions is used to access further information on the origin of quantum critical behavior in the hole-doped cuprate superconductors. Excellent quantitative agreement with their anisotropic linear-$ω$ one-electron scattering rate and normal-state linear-$T$ resistivity is achieved. Our results provide strong evidence that the normal-state linear-$T$ resistivity is indeed a manifestation of low-temperature scale-invariant physics.

cond-mat.str-el↗

Counterexamples in Levin-Wen string-net models, group categories, and Turaev unimodality

We remark on the claim that the string-net model of Levin and Wen is a microscopic Hamiltonian formulation of the Turaev-Viro topological quantum field theory. Using simple counterexamples we indicate where interesting extra structure may be needed in the Levin-Wen model for this to hold (however we believe that some form of the correspondence is true). In order to be accessible to the condensed matter community we provide a brief and gentle introduction to the relevant concepts in category theory (relying heavily on analogy with ordinary group representation theory). Likewise, some physical ideas are briefly surveyed for the benefit of the more mathematical reader. The main feature of group categories under consideration is Turaev's unimodality. We pinpoint where unimodality should fit into the Levin-Wen construction, and show that the simplest example fails to be unimodal. Unimodality is straightforward to compute for group categories, and we provide a complete classification at the end of the paper.

cond-mat.str-el↗

Charge orderings and phase separations in the atomic limit of the extended Hubbard model with intersite density-density interactions

A simple effective model of charge ordered insulators is studied. The tight binding Hamiltonian consists of the effective on-site interaction U and the intersite density-density interactions Wij (both: nearest-neighbour and next-nearest-neighbour). In the analysis of the phase diagrams we have adopted the variational approach, which treats the on-site interaction term exactly and the intersite interactions within the mean-field approximation. The phase separated states have not been taken into account in previous analyses. Our investigations of two cases of the on-site interaction: attraction (U/(-W_Q)=-10) and repulsion (U/(-W_Q)=1.1) show that, depending on the values of the next-nearest-neighbour attraction, the system can exhibit not only homogeneous phases: charge ordered (CO) and nonordered (NO), but also various phase separated states (CO--NO, CO--CO).

cond-mat.str-el↗

Independent Bond Fluctuation Approximation to the Ground State of Quantum Antiferromagnets

A simple approach to estimation of the ground state energy of quantum antiferromagnets is developed, based on the approximation that quantum fluctuations around different bonds are independent. The ground state energy estimates are as good as spin wave theory or slightly better. A canonical transformation of the spin operators to generate bond quantum fluctuations is devised and applied to the classical ground state of the $S=\frac{1}{2}$ Heisenberg model on the square lattice. This simple picture of quantum spin fluctuations might be useful in more complex models. The resulting nearest neighbor and next-nearest neighbor correlations can be used in an alternative derivation of spin waves in the Heisenberg model, giving an accurate dispersion as well as raising and lowering operators.

cond-mat.str-el↗

The reflection spectra of the Bechgaard salts:a theoretical determination

The aim of this contribution is to analyze to some extent the reflectivity of the family of organic salts known as the Bechgaard salts. The reflectivity will be calculated using a well known theoretical framework,and results for the electrical conductivity and susceptibility of these materials. The result obtained for the reflectivity is a non-linear expression depending on various material parameters within the Hubbard model. The position of the region where the reflectivity tends to zero will also be determined as a function of model parameters. A possibility of extending the results to 2D systems is briefly mentioned.

cond-mat.str-el↗

Occurrence of superconductivity when the metal-insulator transition is inhibited in $1T$-TaS${_2}$

When a Mott metal-insulator transition is inhibited by a small amount of disorder in the layered dichalcogenide 1T-TaS$_2$, an inhomogeneous superconducting state arises below T=2.1 K, and coexists with a nearly-commensurate charge-density-wave. By angle-resolved photoelectron spectroscopy (ARPES) we show that it emerges from a bad metal state with strongly damped quasiparticles. Superconductivity is almost entirely suppressed by an external magnetic field of 0.1 T.

cond-mat.str-el↗

Thermal and electrical conductivity of Fermi pocket models of underdoped cuprates

Several models of the electronic spectrum in the pseudogap state of underdoped cuprates have been proposed to explain ARPES and STM measurements, which reveal only truncated Fermi pockets instead of a full metallic Fermi surface. We consider the transport properties expected of four physically distinct models, and calculate the thermal and electrical conductivity of the electronic quasiparticles. By proposing transport currents that reflect the close correspondence between quasiparticles on the Fermi pockets in the pseudogap and those near nodes in the superconducting state, we show that measurable transport coefficients provide stringent tests of pseudogap models.

cond-mat.supr-con↗

Computation of ground-state properties of strongly correlated many-body systems by a two-subsystem ground-state approximation

We present a new approach to compute low lying eigenvalues and corresponding eigenvectors for strongly correlated many-body systems. The method was inspired by the so-called Automated Multilevel Sub-structuring Method (AMLS). Originally, it relies on subdividing the physical space into several regions. In these sub-systems the eigenproblem is solved, and the regions are combined in an adequate way. We developed a method to partition the state space of a many-particle system in order to apply similar operations on the partitions. The tensorial structure of the Hamiltonian of many-body systems make them even more suitable for this approach. The method allows to break down the complexity of large many-body systems to the complexity of two spatial sub-systems having half the geometric size. Considering the exponential size of the Hilbert space with respect to the geometric size this represents a huge advantage. In this work, we present some benchmark computations for the method applied to the one-band Hubbard model.

physics.comp-ph↗

Insights on the cuprate high energy anomaly observed in ARPES

Recently, angle-resolved photoemission spectroscopy has been used to highlight an anomalously large band renormalization at high binding energies in cuprate superconductors: the high energy "waterfall" or high energy anomaly (HEA). The anomaly is present for both hole- and electron-doped cuprates as well as the half-filled parent insulators with different energy scales arising on either side of the phase diagram. While photoemission matrix elements clearly play a role in changing the aesthetic appearance of the band dispersion, i.e. creating a "waterfall"-like appearance, they provide an inadequate description for the physics that underlies the strong band renormalization giving rise to the HEA. Model calculations of the single-band Hubbard Hamiltonian showcase the role played by correlations in the formation of the HEA and uncover significant differences in the HEA energy scale for hole- and electron-doped cuprates. In addition, this approach properly captures the transfer of spectral weight accompanying doping in a correlated material and provides a unifying description of the HEA across both sides of the cuprate phase diagram. We find that the anomaly demarcates a transition, or cross-over, from a quasiparticle band at low binding energies near the Fermi level to valence bands at higher binding energy, assumed to be of strong oxygen character.

cond-mat.str-el↗

Ultrafast Cascading Theory in Intersystem Crossings in Transition-Metal Complexes

We investigate the cascade decay mechanism for ultrafast intersystem crossing mediated by the spin-orbit coupling in transition-metal complexes. A quantum-mechanical description of the cascading process that occurs after photoexcitation is presented. The conditions for ultrafast cascading are given, which relate the energy difference between the levels in the cascading process to the electron-phonon self energy. These limitations aid in the determination of the cascade path. For $Fe^{2+}$ spin-crossover complexes, this leads to the conclusion that the ultrafast decay primarily occurs in the manifold of antibonding metal-to-ligand charge-transfer states. We also give an interpretation why some intermediate states are bypassed.

cond-mat.str-el↗

Fe ion doping effect on electrical and magnetic properties of La0.7Ca0.3Mn1-xFexO3 x = 0.0 to 1.0

Here we report the structural, electrical and magnetic properties of Fe doped La0.7Ca0.3Mn1-xFexO3 with x = 0.0 to 1.0 prepared by conventional solid state reaction method. Simulated data on XRD shows an increase in volume with an increase in Fe ion concentration. XPS supports that Fe3+ ions directly substitute Mn3+ ions. Shifting towards lower wave-number and symmetric IR band structure confirms increase in volume and homogeneous distribution of Fe ions. Fe ion doesn't contribute in double-exchange (DE) conduction mechanism due to its stable half filled 3d orbital. The presence of Fe3+ ions encourages anti-ferromagnetism (AFM) generated by super-exchange interaction and suppress insulator-metal transition temperature (TIM). Magnetic measurements show the existence of magnetic polarons supported by increase in volume of unit cell and deviation from Curie-Weiss law.

cond-mat.str-el↗

Comment to: "Particle-hole symmetry breaking in the pseudogap state of Bi2201"

Shen et al. [1] recently reported on ARPES data from Pb-Bi2201 revealing both particle-hole symmetry breaking and pronounced spectral broadening, which they interpret to be indicative of spatial symmetry breaking without long-range order at the opening of the pseudogap. Here is demonstrated how their results could be interpreted to reflect static and dynamic inhomogeneous crystal fields causing inter-band transfer of holes upon cooling below T*. Possible relevance to formation of charge carrier inhomogeneities is discussed, and put in perspective of a proposed quantum chemical understanding of HTS.

cond-mat.supr-con↗