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H. R. Krishnamurthy

Publications and source records attributed to H. R. Krishnamurthy.

At least 91 records · Page 5Linked to original sources

"Exhaustion" Physics in the Periodic Anderson Model using Iterated Perturbation Theory

We discuss the "exhaustion" problem in the context of the Periodic Anderson Model using Iterated Perturbation Theory(IPT) within the Dynamical Mean Field Theory. We find that, despite its limitations, IPT captures the exhaustion physics, which manifests itself as a dramatic, strongly energy dependent suppression of the effective Anderson impurity problem. As a consequence, low energy scales in the lattice case are strongly suppressed compared to the "Kondo scale" in the single-impurity picture. The IPT results are in qualitative agreement with recent Quantum Monte Carlo results for the same problem.

cond-mat.str-el↗

The Dynamical Cluster Approximation: Non-Local Dynamics of Correlated Electron Systems

We recently introduced the dynamical cluster approximation(DCA), a new technique that includes short-ranged dynamical correlations in addition to the local dynamics of the dynamical mean field approximation while preserving causality. The technique is based on an iterative self-consistency scheme on a finite size periodic cluster. The dynamical mean field approximation (exact result) is obtained by taking the cluster to a single site (the thermodynamic limit). Here, we provide details of our method, explicitly show that it is causal, systematic, $Φ$-derivable, and that it becomes conserving as the cluster size increases. We demonstrate the DCA by applying it to a Quantum Monte Carlo and Exact Enumeration study of the two-dimensional Falicov-Kimball model. The resulting spectral functions preserve causality, and the spectra and the CDW transition temperature converge quickly and systematically to the thermodynamic limit as the cluster size increases.

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Bond-orientational ordering and shear rigidity in modulated colloidal liquids

From Landau-Alexander-McTague theory and Monte-Carlo simulation results we show that the modulated liquid obtained by subjecting a colloidal system to a periodic laser modulation has long range bond-orientational order and non-zero shear rigidity. From infinite field simulation results we show that in the modulated liquid phase, the translational order parameter correlation function decays to zero exponentially while the correlation function for the bond-orientational order saturates to a finite value at large distances.

cond-mat.soft↗

Laser induced freezing of charge stabilized colloidal system

We present results from an extensive simulational study of the modulated liquid $\longleftrightarrow$ crystal transition in a 2-d charge-stabilized colloid subject to a 1-d laser field modulation commensurate with the crystalline phase. {\em {Contrary to some earlier simulational and experimental findings we do not find any reentrant liquid phase in our simulation. Furthermore the transition remains first-order (albeit weak, with a fairly large correlation length) even in the limit of infinite field, contrary to mean-field predictions}}. In the modulated liquid phase, while the translational order decays exponentially, the bond orientational order is actually long ranged.

cond-mat.soft↗

Nonlocal Dynamical Correlations of Strongly Interacting Electron Systems

We introduce an extension of the dynamical mean field approximation (DMFA) which retains the causal properties and generality of the DMFA, but allows for systematic inclusion of non-local corrections. Our technique maps the problem to a self-consistently embedded cluster. The DMFA (exact result) is recovered as the cluster size goes to one (infinity). As a demonstration, we study the Falicov-Kimball model using a variety of cluster sizes. We show that the sum rules are preserved, the spectra are positive definite, and the non-local correlations suppress the CDW transition temperature. \

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Weak magnetoresistance of disordered heavy fermion systems

We compare the magnetoresistance of UCu$_{3.5}$Pd$_{1.5}$ with calculations done within the disordered heavy fermion framework of Miranda et al. using a phenomenological spectral function for the Anderson model, calibrated against Bethe ansatz and quantum Monte Carlo results. Both in experiment and theory, we find a weak negative magnetoresistance. In contrast, thermodynamic quantities have a strong field dependence. Using qualitative arguments broad distribution of Kondo scales, we explain the different field dependence of susceptibility and resistivity.

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Laser induced quasicrystalline order in charge stabilised colloidal systems

We have studied the ordering of a two dimensional charge stabilised colloidal system in the presence of a stationary one dimensionally modulated laser field formed by the superposition of two modulations with wavevectors $q_0 τ$ and $q_0/τ$, where $q_0$ is the wavevector corresponding to the first peak of the direct correlation function of the unperturbed liquid, and $τ$ is the golden mean. In the framework of the Landau-Alexander-McTague theory we find that a decagonal quasicrystalline phase is stabler than the liquid or the triangular lattice in certain regions of the phase diagram. Our study also shows a reentrant melting phenomena for larger laser field strengths. We find that the transition from the modulated liquid to the quasicrystalline phase is continuous in contrast to a first order transition from the modulated liquid to the triangular crystalline phase.

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Low-Lying Electronic Excitations and Nonlinear Optic Properties of Polymers via Symmetrized Density Matrix Renormalization Group Method

A symmetrized Density Matrix Renormalization Group procedure together with the correction vector approach is shown to be highly accurate for obtaining dynamic linear and third order polarizabilities of one-dimensional Hubbard and $U-V$ models. The $U-V$ model is seen to show characteristically different third harmonic generation response in the CDW and SDW phases. This can be rationalized from the excitation spectrum of the systems.

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Estimation of properties of low-lying excited states of Hubbard models : a multi-configurational symmetrized projector quantum Monte Carlo approach

We present in detail the recently developed multi-configurational symmetrized projector quantum Monte Carlo (MSPQMC) method for excited states of the Hubbard model. We describe the implementation of the Monte Carlo method for a multi-configurational trial wavefunction. We give a detailed discussion of issues related to the symmetry of the projection procedure which validates our Monte Carlo procedure for excited states and leads naturally to the idea of symmetrized sampling for correlation functions, developed earlier in the context of ground state simulations. It also leads to three possible averaging schemes. We have analyzed the errors incurred in these various averaging procedures and discuss and detail the preferred averaging procedure for correlations that do not have the full symmetry of the Hamiltonian. We study the energies and correlation functions of the low-lying excited states of the half-filled Hubbard model in 1-D. We have used this technique to study the pair-binding energies of two holes in $4n$ and $4n+2$ systems, which compare well the Bethe ansatz data of Fye, Martins and Scalettar. We have also studied small clusters amenable to exact diagonalization studies in 2-D and have reproduced their energies and correlation functions by the MSPQMC method. We identify two ways in which a multiconfigurational trial wavefunction can lead to a negative sign problem. We observe that this effect is not severe in 1-D and tends to vanish with increasing system size. We also note that this does not enhance the severity of the sign problem in two dimensions.

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Symmetrized PQMC Studies of the ground state of $C_{60}$

We develop a new $\it {symmetrized}$ version of the Projector Quantum Monte Carlo (SPQMC) method which preserves the symmetries of the system by simultaneously sampling all symmetry related Ising configurations at each MC step and use it to study the effect of electron correlations on a single $C_{60}$ molecule and its structural motifs, within the Hubbard model. The SPQMC method allows more accurate estimates of correlation functions as seen from calculations on small systems. We study the ground state properties of a single fullerene molecule, with and without bond alternation. We construct projections of the bond orders and spin-spin correlation functions on the space of irreducible representations of the icosahedral point group. These projections, analogous to the structure factors of translationally invariant systems, give the amplitudes for distortions which transform as the irreducible representations of the point group. The amplitude for the $H_{g}$ distortion is the largest while the spin structure has large weights in the $T_{2g}$ and $G_{u}$ representations.

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Variational Monte Carlo and Configurational Interaction Studies of $C_{60}$ and its Fragments

The $C_{60}$ molecule and its fragments are studied using Configuration Interaction (CI) and Variational Monte Carlo (VMC) techniques, within the Hubbard model. Using benzene as a test case, we compare the results of the approximate calculations with exact calculations. The fragments of $C_{60}$ studied are pyracylene, fluoranthene and corannulene. The energies, bond orders, spin-spin and charge-correlation functions of these systems are obtained for various values of the Hubbard parameter, $U$. The analysis of bond orders and correlation functions of these individual molecules allow us to visualise pyracylene as a naphthalene unit with two ethylenic moieties and fluoranthene as weakly bridged benzene and naphthalene units. Corannulene is the largest fragment of $C_{60}$ that we have studied. The hexagon-hexagon(h-h) bond orders are slightly larger than those of the hexagon-pentagon bonds(h-p), a feature also found in other fragments. We also find bonds between two co-ordinated carbon sites to be stronger than bonds involving three coordinated carbon sites. In $C_{60}$, the h-h bonds are stronger than in corannulene and the h-p bonds weaker than in corannulene for all correlation strengths. Introducing bond alternation in the buckyball enhances this difference.

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Multi-configurational Symmetrized Projector Quantum Monte Carlo Studies of excited states of the Hubbard model

We develop a novel multi-configurational Symmetrized Projector Quantum Monte Carlo (MSPQMC) method to calculate excited state properties of Hubbard models. We compare the MSPQMC results for finite Hubbard chains with exact results (where available) or with Density Matrix Renormalization Group (DMRG) results for longer chains. The energies and correlation functions of the excited states are in good agreement with those obtained from the alternate techniques.

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DMRG Studies of the Spin-Half Heisenberg System with Dimerization and Frustration

Using the density matrix renormalization group technique, we study the ground state phase diagram and other low-energy properties of an isotropic antiferromagnetic spin-half chain with both dimerization and frustration, i.e., an alternation $δ$ of the nearest neighbor exchanges and a next-nearest-neighbor exchange $J_2~$. For $δ= 0$, the system is gapless for $J_2 < J_{2c} ~$ and has a gap for $J_2 > J_{2c} ~$ where $J_{2c}~$ is about $0.241$. For $J_2 = J_{2c}$, the gap above the ground state grows as $δ$ to the power $0.667 \pm 0.001$. In the $J_2 - δ$ plane, there is a disorder line $2 J_2 + δ= 1$. To the left of this line, the peak in the static structure factor $S(q)$ is at $q_{max} = π$ (Neel phase), while to the right of the line, $q_{max}$ decreases from $π$ to $π/ 2$ as $J_2$ is increased to large values (spiral phase). For $δ= 1$, the system is equivalent to two coupled chains as on a ladder and it is gapped for all values of the interchain coupling.

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van Hove Singularity effects in Strongly Correlated Fermions

We examine the effects of a van Hove singularity (vHs) in the density of states (DOS) of a two dimensional, $t-t'-U$ Hubbard model within the local approximation. Within our approximation the non-interacting Fermi surface is always retained away from half-filling; and we find that the vHs in the DOS survives, and for hole doping is nearly "pinned" to the Fermi level due to the enhancement of the effective mass, $m^*$. We discuss the electron-hole asymmetry of this phenomena and its relevance to the electron and hole doped cuprates. At optimal (hole) doping, with the Fermi level at the vHs, we find that the single particle damping rate $Γ$, and the resistivity $ρ_{dc}$, scale as $T$ for moderately low temperatures ($T \gtrsim 100$K), while for the electron doped system $Γ$ and $ρ_{dc} \sim T^2$.

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Symmetrized DMRG Method for Excited States of Hubbard Models

We extend the density matrix renormalization group method to exploit Parity, $C_2$ (rotation by $π$) and electron-hole symmtries of model Hamiltonians. We demonstrate the power of this method by obtaining the lowest energy states in all the eight symmetry subspaces of Hubbard chains with upto 50 sites. The ground-state energy, optical gap and spin gap of regular $U=4t$ and $U=6t$ Hubbard chains agree very well with exact results. This development extends the scope of the DMRG method and allows future applications to study of optical properties of low-dimensional conjugated polymeric systems.

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A comparative study of the phase diagrams of spin-$1 \over 2$ and spin-$1$ antiferromagnetic chains with dimerization and frustration

We use the density matrix renormalization group method to study the ground state `phase' diagram and some low-energy properties of isotropic antiferromagnetic spin-$1 \over 2$ and spin-$1$ chains with a next-nearest neighbor exchange $J_2 ~$ and an alternation $δ$ of the nearest neighbor exchanges. In the spin-$1 \over 2$ chain, the system is gapless for $δ=0$ and $J_2 < J_{2c} =0.241$, and is gapped everywhere else in the $J_2 - δ$ plane. At $J_{2c}$, for small $δ$, the gap increases as $δ^α$, where $α= 0.667 \pm 0.001$. $2J_2 + δ= 1$ is a disorder line. To the left of this line, the structure factor $S(q)$ peaks at $q_{max} = π$ (Neel `phase'), while to the right, $q_{max}$ decreases from $π$ to $π/2$ (spiral `phase') as $J_2$ increases. There is also a `$\uparrow \uparrow \downarrow \downarrow$ phase' for large values of both $J_2$ and $δ$. In the spin-$1$ case, we find a line running from a gapless point at $(J_2 , δ) = (0,0.25 \pm 0.01)$ upto a `gapless' point at $(0.73 \pm 0.005,0)$ such that the open chain ground state is four-fold degenerate below the line and is unique above it. There is a disorder line in this case also and it has the same equation as in the spin-$1 \over 2$ case, but the line ends at about $δ=0.136$. Similar to the spin-$1 \over 2$ case, to the left of this line, the peak in the structure factor is at $π$ (Neel `phase'), while to the right of the line, it is at less than $π$ (spiral `phase'). For $δ=1$, the system corresponds to a spin ladder and the system is gapped for all values of the interchain coupling for both spin-$1 \over 2$ and spin-$1$ ladders.

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The Exotic Barium Bismuthates

We review the remarkable properties, including superconductivity, charge-density-wave ordering, and metal-insulator transitions, of lead- and potassium-doped barium bismuthate. We discuss some of the early theoretical studies of these systems. Our recent theoretical work, on the negative-$U\/$, extended-Hubbard model for these systems, is also described. Both the large- and intermediate-$U\/$ regimes of this model are examined, using mean-field and random-phase approximations, particularly with a view to fitting various experimental properties of these bismuthates. On the basis of our studies, we point out possibilities for exotic physics in these systems. We also emphasize the different consequences of electronic and phonon-mediated mechanisms for the negative $U.\/$ We show that, for an electronic mechanism, the \secin \,\,phases of these bismuthates must be unique, with their transport properties {\it dominated by charge $\pm 2e$ Cooperon bound states}. This can explain the observed difference between the optical and transport gaps. We propose other experimental tests for this novel mechanism of charge transport and comment on the effects of disorder.

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Hall Coefficient in the doped Mott Insulator

We compute the (zero frequency) Hall coefficient $R_H$, and the high frequency Hall constant $R_H^*$ for the strong coupling Hubbard model away from half-filling, in the $d=\infty$/ local approximation, using the new iterated perturbation scheme proposed by Kajueter and Kotliar. We find quantitative agreement of our $R_H^*$ with the QMC results obtained in two dimensions by Assaad and Imada [Phys. Rev. Lett. {\bf 74}, 3868 (1995)]. However while the {\it sign} of $R_H$ is quite accurately reproduced by $R_H^*$ the doping dependence of its magnitude at large U is not. We report results for the complete temperature $(T)$, doping $(x)$ and $U$ dependence of $R_H$ and $R_H^*$ and discuss their possible relevance to doped cuprates.

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