arXiv subjects

Ross H. McKenzie

Publications and source records attributed to Ross H. McKenzie.

At least 73 records · Page 4Linked to original sources

arXiv2007

Quantum dynamics of electronic excitations in biomolecular chromophores: role of the protein environment and solvent

We consider continuum dielectric models as minimal models to understand the effect of a surrounding globular protein and solvent on the quantum dynamics of electronic excitations in a biological chromophore. We derive expressions for the frequency dependent spectral density which describes the coupling of the electronic levels in the chromophore to its environment. The magnitude and frequency dependence of the spectral density determines whether or not the quantum dynamics is coherent or incoherent, and thus whether on not one can observe quantum interference effects such as Rabi oscillations. We find the contributions to the spectral density from each component of the chromophore environment: the bulk solvent, protein, and water bound to the protein. The relative importance of each component to the quantum dynamics of the chromophore is determined by the dynamics' time scale. Our results provide a natural explanation and model for the different time scales observed in the spectral density extracted from the solvation dynamics probed by ultra-fast laser spectroscopy techniques such as the dynamic Stokes shift and three pulse photon echo spectroscopy. Our results are used to define under what conditions the dynamics of the excited chromophore is dominated by the surrounding protein and when it is dominated by dielectric fluctuations in the solvent. We show that even when the chromophore is shielded from the solvent by the protein ultra-fast solvation can be dominated by the solvent. We suggest that the ultra-fast solvation recently seen in some biological chromophores should not necessarily be assigned to ultra-fast protein dynamics. Spectral densities estimated from our continuum models and extracted from experiment suggest that most quantum dynamics of electronic excitations is incoherent.

quant-ph↗

arXiv2007

Antiferromagnetic Spin Fluctuations in the Metallic Phase of Quasi-Two-Dimensional Organic Superconductors

We give a quantitative analysis of the previously published nuclear magnetic resonance (NMR) experiments in the k-(ET)2X family of organic charge transfer salts by using the phenomenological spin fluctuation model of Moriya, and Millis, Monien and Pines (M-MMP). For temperatures above T_nmr ~ 50 K, the model gives a good quantitative description of the data in the metallic phases of several k-(ET)2X materials. These materials display antiferromagnetic correlation lengths which increase with decreasing temperature and grow to several lattice constants by T_nmr. It is shown that the fact that the dimensionless Korringa ratio is much larger than unity is inconsistent with a broad class of theoretical models (such as dynamical mean-field theory) which neglects spatial correlations and/or vertex corrections. For materials close to the Mott insulating phase the nuclear spin relaxation rate, the Knight shift and the Korringa ratio all decrease significantly with decreasing temperature below T_nmr. This cannot be described by the M-MMP model and the most natural explanation is that a pseudogap, similar to that observed in the underdoped cuprate superconductors, opens up in the density of states below T_nmr. Such a pseudogap has recently been predicted to occur in the dimerised organic charge transfer salts materials by the resonating valence bond (RVB) theory. We propose specific new experiments on organic superconductors to elucidate these issues. For example, measurements to see if high magnetic fields or high pressures can be used to close the pseudogap would be extremely valuable.

cond-mat.str-el↗

arXiv2006

Excitation spectra and ground state properties of the layered spin-1/2 frustrated antiferromagnets Cs_2CuCl_4 and Cs_2CuBr_4

We use series expansion methods to study ground- and excited-state properties in the helically ordered phase of spin-1/2 frustrated antiferromagnets on an anisotropic triangular lattice. We calculate the ground state energy, ordering wavevector, sublattice magnetization and one-magnon excitation spectrum for parameters relevant to Cs_2CuCl_4 and Cs_2CuBr_4. Both materials are modeled in terms of a Heisenberg model with spatially anisotropic exchange constants; for Cs_2CuCl_4 we also take into account the additional Dzyaloshinskii-Moriya (DM) interaction. We compare our results for Cs_2CuCl_4 with unpolarized neutron scattering experiments and find good agreement. In particular, the large quantum renormalizations of the one-magnon dispersion are well accounted for in our analysis, and inclusion of the DM interaction brings the theoretical predictions for the ordering wavevector and the magnon dispersion closer to the experimental results.

cond-mat.str-el↗

arXiv2006

Symmetry of the superconducting order parameter in frustrated systems determined by the spatial anisotropy of spin correlations

We study the resonating valence bond (RVB) theory of the Hubbard-Heisenberg model on the half-filled anisotropic triangular lattice. Varying the frustration changes the wavevector of maximum spin correlation in the Mott insulating phase. This, in turn, changes the symmetry of the superconducting state, that occurs at the boundary of the Mott insulating phase. We propose that this physics is realised in several families of quasi-two-dimensional organic superconductors.

cond-mat.supr-con↗

arXiv2006

Excitation spectra of the spin-1/2 triangular-lattice Heisenberg antiferromagnet

We use series expansion methods to calculate the dispersion relation of the one-magnon excitations for the spin-1/2 triangular-lattice nearest-neighbor Heisenberg antiferromagnet above a three-sublattice ordered ground state. Several striking features are observed compared to the classical (large-S) spin-wave spectra. Whereas at low energies the dispersion is only weakly renormalized by quantum fluctuations, significant anomalies are observed at high energies. In particular, we find roton-like minima at special wave-vectors and strong downward renormalization in large parts of the Brillouin zone, leading to very flat or dispersionless modes. We present detailed comparison of our calculated excitation energies in the Brillouin zone with the spin-wave dispersion to order 1/S calculated recently by Starykh, Chubukov, and Abanov [cond-mat/0608002]. We find many common features but also some quantitative and qualitative differences. We show that at temperatures as low as 0.1J the thermally excited rotons make a significant contribution to the entropy. Consequently, unlike for the square lattice model, a non-linear sigma model description of the finite-temperature properties is only applicable at extremely low temperatures.

cond-mat.str-el↗

arXiv2006

Critical Behaviour of One-particle Spectral Weights in the Transverse Ising Model

We investigate the critical behaviour of the spectral weight of a single quasiparticle, one of the key observables in experiment, for the particular case of the transverse Ising model.Series expansions are calculated for the linear chain and the square and simple cubic lattices. For the chain model, a conjectured exact result is discovered. For the square and simple cubic lattices, series analyses are used to estimate the critical exponents. The results agree with the general predictions of Sachdev.

cond-mat.str-el↗

arXiv2006

Strong electronic correlations in superconducting organic charge transfer salts

We review the role of strong electronic correlations in quasi--two-dimensional organic charge transfer salts such as (BEDT-TTF)$_2X$, (BETS)$_2Y$ and $β'$-[Pd(dmit)$_2$]$_2Z$. We begin by defining minimal models for these materials. It is necessary to identify two classes of material: the first class is strongly dimerised and is described by a half-filled Hubbard model; the second class is not strongly dimerised and is described by a quarter filled extended Hubbard model. We argue that these models capture the essential physics of these materials. We explore the phase diagram of the half-filled quasi--two-dimensional organic charge transfer salts, focusing on the metallic and superconducting phases. We review work showing that the metallic phase, which has both Fermi liquid and `bad metal' regimes, is described both quantitatively and qualitatively by dynamical mean field theory (DMFT). The phenomenology of the superconducting state is still a matter of contention. We critically review the experimental situation, focusing on the key experimental results that may distinguish between rival theories of superconductivity, particularly probes of the pairing symmetry and measurements of the superfluid stiffness. We then discuss some strongly correlated theories of superconductivity, in particular, the resonating valence bond (RVB) theory of superconductivity. We conclude by discussing some of the major challenges currently facing the field.

cond-mat.str-el↗

arXiv2006

Anomalous Excitation Spectra of Frustrated Quantum Antiferromagnets

We use series expansions to study the excitation spectra of spin-1/2 antiferromagnets on anisotropic triangular lattices. For the isotropic triangular lattice model (TLM) the high-energy spectra show several anomalous features that differ strongly from linear spin-wave theory (LSWT). Even in the Neel phase, the deviations from LSWT increase sharply with frustration, leading to roton-like minima at special wavevectors. We argue that these results can be interpreted naturally in a spinon language, and provide an explanation for the previously observed anomalous finite-temperature properties of the TLM. In the coupled-chains limit, quantum renormalizations strongly enhance the one-dimensionality of the spectra, in agreement with experiments on Cs_2CuCl_4.

cond-mat.str-el↗

arXiv2005

Quantum Entanglement in the Two Impurity Kondo Model

In order to quantify quantum entanglement in two impurity Kondo systems, we calculate the concurrence, negativity, and von Neumann entropy. The entanglement of the two Kondo impurities is shown to be determined by two competing many-body effects, the Kondo effect and the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, $I$. Due to the spin-rotational invariance of the ground state, the concurrence and negativity are uniquely determined by the spin-spin correlation between the impurities. It is found that there exists a critical minimum value of the antiferromagnetic correlation between the impurity spins which is necessary for entanglement of the two impurity spins. The critical value is discussed in relation with the unstable fixed point in the two impurity Kondo problem. Specifically, at the fixed point there is no entanglement between the impurity spins. Entanglement will only be created (and quantum information processing (QIP) be possible) if the RKKY interaction exchange energy, $I$, is at least several times larger than the Kondo temperature, $T_K$. Quantitative criteria for QIP are given in terms of the impurity spin-spin correlation.

quant-ph↗

arXiv2005

Teleportation via multi-qubit channels

We investigate the problem of teleporting an unknown qubit state to a recipient via a channel of $2Ł$ qubits. In this procedure a protocol is employed whereby $Ł$ Bell state measurements are made and information based on these measurements is sent via a classical channel to the recipient. Upon receiving this information the recipient determines a local gate which is used to recover the original state. We find that the $2^{2Ł}$-dimensional Hilbert space of states available for the channel admits a decomposition into four subspaces. Every state within a given subspace is a perfect channel, and each sequence of Bell measurements projects $2Ł$ qubits of the system into one of the four subspaces. As a result, only two bits of classical information need be sent to the recipient for them to determine the gate. We note some connections between these four subspaces and ground states of many-body Hamiltonian systems, and discuss the implications of these results towards understanding entanglement in multi-qubit systems.

quant-ph↗

arXiv2005

Entanglement Sharing and Decoherence in the Spin-Bath

The monogamous nature of entanglement has been illustrated by the derivation of entanglement sharing inequalities - bounds on the amount of entanglement that can be shared amongst the various parts of a multipartite system. Motivated by recent studies of decoherence, we demonstrate an interesting manifestation of this phenomena that arises in system-environment models where there exists interactions between the modes or subsystems of the environment. We investigate this phenomena in the spin-bath environment, constructing an entanglement sharing inequality bounding the entanglement between a central spin and the environment in terms of the pairwise entanglement between individual bath spins. The relation of this result to decoherence will be illustrated using simplified system-bath models of decoherence.

quant-ph↗

arXiv2005

Measurement-Based Teleportation Along Quantum Spin Chains

We consider teleportation of an arbitrary spin-1/2 target quantum state along the ground state of a quantum spin chain. We present a decomposition of the Hilbert space of the many body quantum state into 4 vector spaces. Within each of these subspaces, it is possible to take any superposition of states, and use projective measurements to perform unit fidelity teleportation. Any such superposition is necessarily a spin liquid state. We also show that all total spin-0 quantum states belong in the same space, so that it is possible to perform unit fidelity teleportation over any one-dimensional spin-0 many body quantum state. We generalise to $n$-Bell states, and present some general bounds on fidelity of teleportation given a general state of a quantum spin chain.

quant-ph↗

arXiv2005

Quantum entanglement and fixed-point bifurcations

How does the classical phase space structure for a composite system relate to the entanglement characteristics of the corresponding quantum system? We demonstrate how the entanglement in nonlinear bipartite systems can be associated with a fixed point bifurcation in the classical dynamics. Using the example of coupled giant spins we show that when a fixed point undergoes a supercritical pitchfork bifurcation, the corresponding quantum state - the ground state - achieves its maximum amount of entanglement near the critical point. We conjecture that this will be a generic feature of systems whose classical limit exhibits such a bifurcation.

quant-ph↗

arXiv2005

Spin-boson models for quantum decoherence of electronic excitations of biomolecules and quantum dots in a solvent

We give a theoretical treatment of the interaction of electronic excitations (excitons) in biomolecules and quantum dots with the surrounding polar solvent. Significant quantum decoherence occurs due to the interaction of the electric dipole moment of the solute with the fluctuating electric dipole moments of the individual molecules in the solvent. We introduce spin boson models which could be used to describe the effects of decoherence on the quantum dynamics of biomolecules which undergo light-induced conformational change and on biomolecules or quantum dots which are coupled by Forster resonant energy transfer.

cond-mat.soft↗

arXiv2005

Temperature Dependence of the Magnetic Susceptibility for Triangular-Lattice Antiferromagnets with spatially anisotropic exchange constants

We present the temperature dependence of the uniform susceptibility of spin-half quantum antiferromagnets on spatially anisotropic triangular-lattices, using high temperature series expansions. We consider a model with two exchange constants, $J_1$ and $J_2$ on a lattice that interpolates between the limits of a square-lattice ($J_1=0$), a triangular-lattice ($J_2=J_1$), and decoupled linear chains ($J_2=0$). In all cases, the susceptibility which has a Curie-Weiss behavior at high temperatures, rolls over and begins to decrease below a peak temperature, $T_p$. Scaling the exchange constants to get the same peak temperature, shows that the susceptibilities for the square-lattice and linear chain limits have similar magnitudes near the peak. Maximum deviation arises near the triangular-lattice limit, where frustration leads to much smaller susceptibility and with a flatter temperature dependence. We compare our results to the inorganic materials Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$ and to a number of organic molecular crystals. We find that the former (Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$) are weakly frustrated and their exchange parameters determined through the temperature dependence of the susceptibility are in agreement with neutron-scattering measurements. In contrast, the organic materials are strongly frustrated with exchange parameters near the isotropic triangular-lattice limit.

cond-mat.str-el↗

arXiv2004

Criteria for quantum coherent transfer of excitons between chromophores in a polar solvent

We show that the quantum decoherence of Forster resonant energy transfer between two optically active molecules can be described by a spin-boson model. This allows us to give quantitative criteria, in terms of experimentally measurable system parameters, that are necessary for coherent Bloch oscillations of excitons between the chromophores. Experimental tests of our results should be possible with Flourescent Resonant Energy Transfer (FRET) spectroscopy. Although we focus on the case of protein-pigment complexes our results are also relevant to quantum dots and organic molecules in a dielectric medium.

quant-ph↗

arXiv2004

Comparison of the phase diagram of the half-filled layered organic superconductors with the phase diagram of the RVB theory of the Hubbard-Heisenberg model

We present an resonating valence bond (RVB) theory of superconductivity for the Hubbard--Heisenberg model on an anisotropic triangular lattice. We show that these calculations are consistent with the observed phase diagram of the half-filled layered organic superconductors, such as the beta, beta', kappa and lambda phases of (BEDT-TTF)_2X [bis(ethylenedithio)tetrathiafulvalene] and (BETS)_2X [bis(ethylenedithio)tetraselenafulvalene]. We find a first order transition from a Mott insulator to a d_{x^2-y^2} superconductor with a small superfluid stiffness and a pseudogap with d_{x^2-y^2} symmetry. The Mott--Hubbard transition can be driven either by increasing the on-site Coulomb repulsion, U, or by changing the anisotropy of the two hopping integrals, t'/t. Our results suggest that the ratio t'/t plays an important role in determining the phase diagram of the organic superconductors.

cond-mat.supr-con↗

arXiv2004

Spin exchange and superconductivity in a $t-J'-V$ model for two-dimensional quarter-filled systems

The effect of antiferromagnetic spin fluctuations on two-dimensional quarter-filled systems is studied theoretically. An effective $t-J'-V$ model on a square lattice which accounts for checkerboard charge fluctuations and next-nearest-neighbors antiferromagnetic spin fluctuations is considered. From calculations based on large-N theory on this model it is found that the exchange interaction, $J'$, increases the attraction between electrons in the d$_{xy}$ channel only, so that both charge and spin fluctuations work cooperatively to produce d$_{xy}$ pairing.

cond-mat.str-el↗