arXiv subjects

R. R. P. Singh

Publications and source records attributed to R. R. P. Singh.

At least 55 records · Page 3Linked to original sources

arXiv2003

A closer look at symmetry breaking in the collinear phase of the $J_1-J_2$ Heisenberg Model

The large $J_2$ limit of the square-lattice $J_1-J_2$ Heisenberg antiferromagnet is a classic example of order by disorder where quantum fluctuations select a collinear ground state. Here, we use series expansion methods and a meanfield spin-wave theory to study the excitation spectra in this phase and look for a finite temperature Ising-like transition, corresponding to a broken symmetry of the square-lattice, as first proposed by Chandra et al. (Phys. Rev. Lett. 64, 88 (1990)). We find that the spectra reveal the symmetries of the ordered phase. However, we do not find any evidence for a finite temperature phase transition. Based on an effective field theory we argue that the Ising-like transition occurs only at zero temperature.

cond-mat.str-el↗

arXiv2002

Striped phase in a quantum XY-model with ring exchange

We present quantum Monte Carlo results for a square-lattice S=1/2 XY-model with a standard nearest-neighbor coupling J and a four-spin ring exchange term K. Increasing K/J, we find that the ground state spin-stiffness vanishes at a critical point at which a spin gap opens and a striped bond-plaquette order emerges. At still higher K/J, this phase becomes unstable and the system develops a staggered magnetization. We discuss the quantum phase transitions between these phases.

cond-mat.str-el↗

arXiv2002

Spectral weight contributions of many-particle bound states and continuum

Cluster expansion methods are developed for calculating the spectral weight contributions of multiparticle excitations - continuum and bound states - to high orders. A complete 11th order calculation is carried out for the alternating Heisenberg chain. For $λ=0.27$, relevant to the material $Cu(NO_3)_2.2.5D_2O$, we present detailed spectral weights for the two-triplet continuum and all bound states. We also examine variation of the relative weights of one and two-particle states with bond alternation from the dimerized to the uniform chain limit.

cond-mat.str-el↗

arXiv2002

Electronic properties of DNA: structural and chemical influence on the quest for high conductance and charge transfer

Motivated by the wide ranging experimental results on the conductivity of DNA, we have investigated extraordinary configurations and chemical environments in which DNA might become a true molecular wire, perticularly from enhanced electronic overlaps or from small activation energies. In particular, we examine A- vs B-DNA, the ribbon-like structures proposed to arise from molecular stretching, the potential role of counterions in hole doping the DNA orbitals, the possibility of backbone conduction, and the effects of water. We find that small activation gaps observed in conductivity experiments may arise in the presence of water and counter ions. We further discuss the role of harmonic vibration and twisting motion on electron tight binding matrix elements using ab initio density functional theory and model Koster-Slater theory calculations. We find that partial cancellation between pp-sigma and pp-pi interaction of Pz orbitals on adjacent base pairs, along with destructive interference of phase factors are needed to explain the weak conductance of A-DNA. Our results lead also to a physical interpretation of the angular dependence of inter-base pair tight binding matrix elements. Furthermore, we estimate Franck-Condon factors, reorganization energies and nuclear frequencies essential for charge transfer rates, and find our estimated hole transfer rates between base pairs to be in excellent agreement with recent picosecond dynamics data.

cond-mat.soft↗

arXiv2002

Theoretical modeling of prion disease incubation

We present a theory for the laboratory and epidemiological data for incubation times in infectious prion diseases. The central feature of our model is that slow growth of misfolded protein-aggregates from small initial seeds controls the `latent' or `lag' phase, whereas aggregate-fissioning and subsequent spreading leads to an exponential growth or doubling phase. Such a general framework can account for many features of prion diseases including the striking reproducibility of incubation times when high doses are inoculated into lab animals. Broad incubation time distributions arise for low infectious dose, while our calculated distributions narrow to sharply defined onset times with increased dose. We apply our distributions to epidemiological vCJD data and extract estimates of incubation times.

cond-mat↗

arXiv2002

Mediation of Long Range Charge Transfer by Kondo Bound States

We present a theory of non-equilibrium long range charge transfer between donor and acceptor centers in a model polymer mediated by magnetic exciton (Kondo) bound states. Our model produces electron tunneling lengths easily exceeding 10$Å$, as observed recently in DNA and organic charge transfer systems. This long ranged tunneling is effective for weak to intermediate donor-bridge coupling, and is enhanced both by weak to intermediate strength Coulomb hole-electron attraction (through the orthogonality catastrophe) and by coupling to local vibrational modes.

cond-mat.str-el↗

arXiv2001

Series Expansions for Variable Electron Density

We have developed a series expansion method for calculating the zero-temperature properties of lattice electron models for variable electron density, i.e. for finite doping away from the half-filled case. This is done by introducing particle fluctuation terms in both the unperturbed Hamiltonian and perturbation. The method is demonstrated by application to the 2-chain $t-J$ ladder, where we provide comparison with previous work as well as obtaining a number of new results.

cond-mat.str-el↗

arXiv2001

Realization of a large J_2 quasi-2D spin-half Heisenberg system: Li2VOSiO4

Exchange couplings are calculated for Li2VOSiO4 using LDA. While the sum of in-plane couplings J_1 + J_2 = 9.5 \pm 1.5 K and the inter-plane coupling J_{perp} \sim 0.2 - 0.3 K agree with recent experimental data, the ratio J_2/J_1 \sim 12 exceeds the reported value by an order of magnitude. Using geometrical considerations, high temperature expansions and perturbative mean field theory, we show that the LDA derived exchange constants lead to a remarkably accurate description of the properties of these materials including specific heat, susceptibility, Neel temperature and NMR spectra.

cond-mat.str-el↗

arXiv2001

On the statistical mechanics of prion diseases

We simulate a two-dimensional, lattice based, protein-level statistical mechanical model for prion diseases (e.g., Mad Cow disease) with concommitant prion protein misfolding and aggregation. Our simulations lead us to the hypothesis that the observed broad incubation time distribution in epidemiological data reflect fluctuation dominated growth seeded by a few nanometer scale aggregates, while much narrower incubation time distributions for innoculated lab animals arise from statistical self averaging. We model `species barriers' to prion infection and assess a related treatment protocol.

cond-mat.stat-mech↗

arXiv2000

Linked Cluster Series Expansions for Two-Particle Bound States

We develop strong-coupling series expansion methods to study two-particle spectra of quantum lattice models. At the heart of the method lies the calculation of an effective Hamiltonian in the two-particle subspace. We explicitly consider an orthogonality transformation to generate this block diagonalization, and find that maintaining orthogonality is crucial for systems where the ground state and the two-particle subspace are characterized by identical quantum numbers. We discuss the solution of the two-particle Schrödinger equation by using a finite lattice approach in coordinate space or by an integral equation in momentum space. These methods allow us to precisely determine the low-lying excitation spectra of the models at hand, including all two-particle bound/antibound states. Further, we discuss how to generate series expansions for the dispersions of the bound/antibound states. These allow us to employ series extrapolation techniques, whereby binding energies can be determined even when the expansion parameters are not small. We apply the method to the (1+1)D transverse Ising model and the two-leg spin-$\case 1/2$ Heisenberg ladder. For the latter model, we also calculate the coherence lengths and determine the critical properties where bound states merge with the two-particle continuum.

cond-mat.str-el↗

arXiv2000

Deconfinement Transition and Bound States in Frustrated Heisenberg Chains: Regimes of Forced and Spontaneous Dimerization

We use recently developed strong-coupling expansion methods to study the two-particle spectra for the frustrated alternating Heisenberg model, consisting of an alternating nearest neighbor antiferromagnetic exchange and a uniform second neighbor antiferromagnetic exchange. Starting from the limit of weakly coupled dimers, we develop high order series expansions for the effective Hamiltonian in the two-particle subspace. In the limit of a strong applied dimerization, we calculate accurately various properties of singlet and triplet bound states and quintet antibound states. We also develop series expansions for bound state energies in various sectors, which can be extrapolated using standard methods to cases where the external bond-alternation goes to zero. We study the properties of singlet and triplet bound states in the latter limit and suggest a crucial role for the bound states in the unbinding of triplets and deconfinement of spin-half excitations.

cond-mat.str-el↗

arXiv2000

Two-magnon Raman scattering in spin-ladder geometries and the ratio of rung and leg exchange constants

We discuss ways in which the ratio of exchange constants along the rungs and legs of a spin-ladder material influences the two-magnon Raman scattering spectra and hence can be determined from it. We show that within the Fleury-Loudon-Elliott approach, the Raman line-shape does not change with polarization geometries. This lineshape is well known to be difficult to calculate accurately from theory. However, the Raman scattering intensities do vary with polarization geometries, which are easy to calculate. With some assumptions about the Raman scattering Hamiltonian, the latter can be used to estimate the ratio of exchange constants. We apply these results to Sugai's recent measurements of Raman scattering from spin-ladder materials such as La$_6$Ca$_8$Cu$_{24}$O$_{41}$ and Sr$_{14}$Cu$_{24}$O$_{41}$.

cond-mat↗

arXiv2000

Strong-Coupling Expansions for Multiparticle Excitations: Continuum and Bound States

We present a new linked cluster expansion for calculating properties of multiparticle excitation spectra to high orders. We use it to obtain the two-particle spectra for systems of coupled spin-half dimers. We find that even for weakly coupled dimers the spectrum is very rich, consisting of many bound states. The number of bound states depends on both geometry of coupling and frustration. Many of the bound states can only be seen by going to sufficiently high orders in the perturbation theory, showing the extended character of the pair-attraction.

cond-mat.str-el↗

arXiv2000

Some Recent Issues in Quantum Magnetism

Summary of Quantum Magnetism Conference, Institute for Theoretical Physics, University of California, Santa Barbara, California, August 16-20, 1999.

cond-mat.str-el↗

arXiv2000

Two-magnon Raman scattering in insulating cuprates: Modifications of the effective Raman operator

Calculations of Raman scattering intensities in spin 1/2 square-lattice Heisenberg model, using the Fleury-Loudon-Elliott theory, have so far been unable to describe the broad line shape and asymmetry of the two magnon peak found experimentally in the cuprate materials. Even more notably, the polarization selection rules are violated with respect to the Fleury-Loudon-Elliott theory. There is comparable scattering in $B_{1g}$ and $A_{1g}$ geometries, whereas the theory would predict scattering in only $B_{1g}$ geometry. We review various suggestions for this discrepency and suggest that at least part of the problem can be addressed by modifying the effective Raman Hamiltonian, allowing for two-magnon states with arbitrary total momentum. Such an approach based on the Sawatzsky-Lorenzana theory of optical absorption assumes an important role of phonons as momentum sinks. It leaves the low energy physics of the Heisenberg model unchanged but substantially alters the Raman line-shape and selection rules, bringing the results closer to experiments.

cond-mat↗

arXiv1999

Spin and Charge Excitations in the Two-Dimensional t-J Model: Comparison with Fermi and Bose Systems

Using high temperature series we calculate temperature derivatives of the spin-spin and density-density correlation functions to investigate the low energy spin and charge excitations of the two-dimensional t-J model. We find that the temperature derivatives indicate different momentum dependences for the low energy spin and charge excitations. By comparing short distance density-density correlation functions with those of spinless fermions and hard core bosons, we find that the t-J model results are intermediate between the two cases, being closer to those of hard core bosons. The implications of these results for superconductivity are discussed.

cond-mat.str-el↗

arXiv1998

Does the Two-Dimensional t-J Model have Hole Pockets?

We have calculated the high temperature series for the momentum distribution function n_k of the 2D t-J model to 12th order in inverse temperature. By extrapolating the series to T=0.2J we investigate the possibility of hole pockets in the t-J model. We find no indication of hole pockets at an electron density of n=0.9 with J/t=0.5 or J/t=1.0.

cond-mat.str-el↗

arXiv1998

Violation of Luttinger's Theorem in the Two-Dimensional t-J Model

We have calculated the high temperature series for the momentum distribution function n_k of the 2D t-J model to 12th order in inverse temperature. By extrapolating the series to T=0.2J we searched for a Fermi surface of the 2D t-J model. We find that three criteria used for estimating the location of a Fermi surface violate Luttinger's Theorem, implying the 2D t-J model does not have an adiabatic connection to a non-interacting model.

cond-mat.str-el↗