Searcharxiv⌕ Search

arXiv subjects

P. B. Littlewood

Publications and source records attributed to P. B. Littlewood.

At least 19 recordsLinked to original sources

Fermi surface origin of the low-temperature magnetoresistance anomaly

A magnetoresistance (MR) anomaly at low temperatures has been observed in a variety of systems, ranging from low-dimensional chalcogenides to spin and charge density wave (SDW/CDW) metals and, most recently, topological semimetals. In some systems parabolic magnetoresistance can rise to hundreds of thousands of times its low-temperature, zero-field value. While the origin of such a dramatic effect remains unresolved, these systems are often low-carrier-density compensated metals, and the physics is expected to be quasi-classical. Here we demonstrate that this MR anomaly in temperature also exists in high conductivity good metals with large Fermi surfaces, namely Cr, Mo, and W, for both linear and quadratic field-dependent regimes with their non-saturation attributed to open orbit and electron-hole compensation, respectively. We provide evidence that quantum transport across sharp Fermi surface arcs, but not necessarily the full cyclotron orbit, governs this low-temperature MR anomaly. In Cr, extremely sharp curvatures are induced by superposed lattice and SDW band structures. One observes an overlay of the temperature dependence of three phenomena: namely, MR at a constant high field, linear MR in the low-field limit, and Shubnikov-de Haas (SdH) oscillations of the lightest orbit. In Mo, the temperature dependence of low-T MR anomaly extends beyond those of its SdH oscillations but disappears at temperatures where Kohler's scaling reemerges. In the low-temperature and high-field limit, large magnetoresistance from carriers circling quantum orbits is the three-dimensional analogy to the zero-conductance state of carrier localization in the integer quantum Hall effect, especially with regard to the adverse effect of disorder.

cond-mat.mtrl-sci↗

Quantum interference in superposed lattices

Charge transport in solids at low temperature reveals a material's mesoscopic properties and structure. Under a magnetic field, Shubnikov-de Haas (SdH) oscillations inform complex quantum transport phenomena that are not limited by the ground state characteristics. Here, in elemental metal Cr with two incommensurately superposed lattices of ions and a spin-density-wave ground state, we reveal that the phases of several low-frequency SdH oscillations in sigma_xx (rho_xx) and sigma_yy (rho_yy) are opposite, contrast with oscillations from normal cyclotron orbits that maintain identical phases. We trace the origin of the low frequency SdH oscillations to quantum interference effects arising from the incommensurate orbits of Cr's superposed reciprocal lattices, and explain the observed pi-phase shift by the reconnection of anisotropic joint open and closed orbits.

cond-mat.str-el↗

Lamellar fluctuations melt ferroelectricity

We consider a standard Ginzburg-Landau model of a ferroelectric whose electrical polarization is coupled to gradients of elastic strain. At the harmonic level, such flexoelectric interaction is known to hybridize acoustic and optic phonon modes and lead to phases with modulated lattice structures that precede the symmetry broken state for sufficiently large couplings. Here, we use the we use the self-consistent phonon approximation to calculate the effects of thermal and quantum polarization fluctuations on the bare modes to show that such long-range modulated order is unstable at all temperatures. We discuss the implications for the nearly ferroelectric SrTiO$_3$ and KTaO$_3$, and propose that these systems are melted versions of an underlying modulated state which is dominated by non-zero momentum thermal fluctuations except at the very lowest temperatures.

cond-mat.mtrl-sci↗

Analysis of Fröhlich bipolarons

Following a resurgence of interest in dilute superconductivity in polar semiconductors, we perform a variational calculation to probe the existence of Fr{ö}hlich bipolarons in these materials. Our solution is capable of interpolating between the weak- and strong-coupling limits of the electron-phonon interaction. We predict bipolaron formation in solely the strong-coupling regime, and we are not aware of any existing materials at these parameter values. However, imposing an extrinsic electron size constraint to mimic confinement on the sub-micron scale produces binding in new parts of the phase diagram, including at weak coupling, within reach of the near-ferroelectric perovskites.

cond-mat.str-el↗

Cooperative elastic fluctuations provide tuning of the metal-insulator transition

Metal to insulator transitions (MITs) driven by strong electronic correlations are common in condensed matter systems, and are associated with some of the most remarkable collective phenomena in solids, including superconductivity and magnetism. Tuning and control of the transition holds the promise of novel, low power, ultrafast electronics, but the relative roles of doping, chemistry, elastic strain and other applied fields has made systematic understanding difficult to obtain. Here we point out that existing data on tuning of the MIT in perovskite transition metal oxides through ionic size effects provides evidence of systematic and large effects on the phase transition due to dynamical fluctuations of the elastic strain, which have been usually neglected. This is illustrated by a simple yet quantitative statistical mechanical calculation in a model that incorporates cooperative lattice distortions coupled to the electronic degrees of freedom. We reproduce the observed dependence of the transition temperature on cation radius in the well-studied manganite and nickelate materials. Since the elastic couplings are generically quite strong, these conclusions will broadly generalize to all MITs that couple to a change in lattice symmetry.

cond-mat.str-el↗

Linear magnetoresistance in the low-field limit in density-wave materials

The magnetoresistance (MR) of a material is typically insensitive to reversing the applied field direction and varies quadratically with magnetic field in the low-field limit. Quantum effects [1], unusual topological band structures [2], and inhomogeneities that lead to wandering current paths [3, 4] can induce a crossover from quadratic to linear magnetoresistance with increasing magnetic field. Here we explore a series of metallic charge- and spin-density-wave systems that exhibit extremely large positive linear magnetoresistance. By contrast to other linear MR mechanisms, this effect remains robust down to miniscule magnetic fields of tens of Oersted at low temperature. We frame an explanation of this phenomenon in a semi-classical narrative for a broad category of materials with partially-gapped Fermi surfaces due to density waves.

cond-mat.mtrl-sci↗

Landau theory and giant room-temperature barocaloric effect in MF$_3$ metal trifluorides

The structural phase transitions of MF$_3$ (M=Al, Cr, V, Fe, Ti, Sc) metal trifluorides are studied within a simple Landau theory consisting of tilts of rigid MF$_6$ octahedra associated with soft antiferrodistoritive optic modes that are coupled to long-wavelength strain generating acoustic phonons. We calculate the temperature and pressure dependence of several quantities such as the spontaneous distortions, volume expansion and shear strains as well as $T-P$ phase diagrams. By contrasting our model to experiments we quantify the deviations from mean-field behavior and found that the tilt fluctuations of the MF$_6$ octahedra increase with metal cation size. We apply our model to predict giant barocaloric effects in Sc substituted TiF$_3$ of up to about $15\,$JK$^{-1}$kg$^{-1}$ for modest hydrostatic compressions of $0.2\,$GPa. The effect extends over a wide temperature range of over $140\,$K (including room temperature) due to a large predicted rate $dT_c/dP = 723\,$K GPa$^{-1}$, which exceeds those of typical barocaloric materials. Our results suggest that open lattice frameworks such as the trifluorides are an attractive platform to search for giant barocaloric effects.

cond-mat.mtrl-sci↗

Why is the electrocaloric effect so small in ferroelectrics?

Ferroelectrics are attractive candidate materials for environmentally friendly solid state refrigeration free of greenhouse gases. Their thermal response upon variations of external electric fields is largest in the vicinity of their phase transitions, which may occur near room temperature. The magnitude of the effect, however, is too small for useful cooling applications even when they are driven close to dielectric breakdown. Insight from microscopic theory is therefore needed to characterize materials and provide guiding principles to search for new ones with enhanced electrocaloric performance. Here, we derive from well-known microscopic models of ferroelectricity meaningful figures of merit which provide insight into the relation between the strength of the effect and the characteristic interactions of ferroelectrics such as dipole forces. We find that the long range nature of these interactions results in a small effect. A strategy is proposed to make it larger by shortening the correlation lengths of fluctuations of polarization.

cond-mat.mtrl-sci↗

Paraelectric and Ferroelectric States in a Model for Relaxor Ferroelectrics

We study the free energy landscape of a minimal model for relaxor ferroelectrics. Using a variational method which includes leading correlations beyond the mean-field approximation as well as disorder averaging at the level of a simple replica theory, we find metastable paraelectric states with a stability region that extends to zero temperature. The free energy of such states exhibits an essential singularity for weak compositional disorder pointing to their necessary occurrence. Ferroelectric states appear as local minima in the free energy at high temperatures and become stable below a coexistence temperature $T_c$. We calculate the phase diagram in the electric field-temperature plane and find a coexistence line of the polar and non-polar phases which ends at a critical point. First-order phase transitions are induced for fields sufficiently large to cross the region of stability of the metastable paraelectric phase. These polar and non-polar states have distinct structure factors from those of conventional ferroelectrics. We use this theoretical framework to compare and to gain physical understanding of various experimental results in typical relaxors.

cond-mat.dis-nn↗

Domain wall fluctuations in ferroelectrics coupled to strain

Using a Ginzburg--Landau--Devonshire model that includes the coupling of polarization to strain, we calculate the fluctuation spectra of ferroelectric domain walls. The influence of the strain coupling differs between 180 degree and 90 degree walls due to the different strain profiles of the two configurations. The finite speed of acoustic phonons, $v_s$, retards the response of the strain to polarization fluctuations, and the results depend on $v_s$. For $v_s \to \infty$, the strain mediates an instantaneous electrostrictive interaction, which is long-range in the 90 degree wall case. For finite $v_s$, acoustic phonons damp the wall excitations, producing a continuum in the spectral function. As $v_s\ to 0$, a gapped mode emerges, which corresponds to the polarization oscillating in a fixed strain potential.

cond-mat.mtrl-sci↗

Optical recombination of biexcitons in semiconductors

We calculate the photoluminescence spectrum and lifetime of a biexciton in a semiconductor using Fermi's golden rule. Our biexciton wavefunction is obtained using a Quantum Monte Carlo calculation. We consider a recombination process where one of the excitons within the biexciton annihilates. For hole masses greater than or equal to the electron mass, we find that the surviving exciton is most likely to populate the ground state. We also investigate how the confinement of excitons in a quantum dot would modify the lifetime in the limit of a large quantum dot where confinement principally affects the centre of mass wavefunction. The lifetimes we obtain are in reasonable agreement with experimental values. Our calculation can be used as a benchmark for comparison with approximate methods.

cond-mat.str-el↗

Numerical time propagation of quantum systems in radiation fields

Atoms, molecules or excitonic quasiparticles, for which excitations are induced by external radiation fields and energy is dissipated through radiative decay, are examples of driven open quantum systems. We explain the use of commutator-free exponential time-propagators for the numerical solution of the associated Schrödinger or master equations with a time-dependent Hamilton operator. These time-propagators are based on the Magnus series but avoid the computation of commutators, which makes them suitable for the efficient propagation of systems with a large number of degrees of freedom. We present an optimized fourth order propagator and demonstrate its efficiency in comparison to the direct Runge-Kutta computation. As an illustrative example we consider the parametrically driven dissipative Dicke model, for which we calculate the periodic steady state and the optical emission spectrum.

quant-ph↗

One-dimensional half-metallic interfaces of two-dimensional honeycomb insulators

We study zigzag interfaces between insulating compounds that are isostructural to graphene, specifically II-VI, III-V and IV-IV two-dimensional (2D) honeycomb insulators. We show that these one-dimensional interfaces are polar, with a net density of excess charge that can be simply determined by using the ideal (integer) formal valence charges, regardless of the predominant covalent character of the bonding in these materials. We justify this finding on fundamental physical grounds, by analyzing the topology of the formal polarization lattice in the parent bulk materials. First principles calculations elucidate an electronic compensation mechanism not dissimilar to oxide interfaces, which is triggered by a Zener-like charge transfer between interfaces of opposite polarity. In particular, we predict the emergence of one dimensional electron and hole gases (1DEG), which in some cases are ferromagnetic half-metallic.

cond-mat.mes-hall↗

Adiabatic state preparation of interacting two-level systems

We consider performing adiabatic rapid passage (ARP) using frequency-swept driving pulses to excite a collection of interacting two-level systems. Such a model arises in a wide range of many-body quantum systems, such as cavity QED or quantum dots, where a nonlinear component couples to light. We analyze the one-dimensional case using the Jordan-Wigner transformation, as well as the mean field limit where the system is described by a Lipkin-Meshkov-Glick Hamiltonian. These limits provide complementary insights into the behavior of many-body systems under ARP, suggesting our results are generally applicable. We demonstrate that ARP can be used for state preparation in the presence of interactions, and identify the dependence of the required pulse shapes on the interaction strength. In general interactions increase the pulse bandwidth required for successful state transfer, introducing new restrictions on the pulse forms required.

cond-mat.mes-hall↗

Effects of rare earth ion size on the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites

We present a theoretical study on the relation between the size of the rare earth ions, often known as chemical pressure, and the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites. Using a Keating model expressed in terms of atomic scale symmetry modes, we show that there exists a coupling between the uniform shear distortion and the staggered buckling distortion within the Jahn-Teller energy term. It is found that this coupling provides a mechanism by which the coherent Jahn-Teller distortion is more stabilized by smaller rare earth ions. We analyze the appearance of the uniform shear distortion below the Jahn-Teller ordering temperature, estimate the Jahn-Teller ordering temperature and its variation between NdMnO3 and LaMnO3, and obtain the relations between distortions. We find good agreement between theoretical results and experimental data.

cond-mat.mtrl-sci↗

Augmented hybrid exact-diagonalization solver for dynamical mean field theory

We present a new methodology to solve the Anderson impurity model, in the context of dynamical mean-field theory, based on the exact diagonalization method. We propose a strategy to effectively refine the exact diagonalization solver by combining a finite-temperature Lanczos algorithm with an adapted version of the cluster perturbation theory. We show that the augmented diagonalization yields an improved accuracy in the description of the spectral function of the single-band Hubbard model and is a reliable approach for a full d-orbital manifold calculation.

cond-mat.str-el↗

Non-Equilibrium Bose-Einstein Condensation in a Dissipative Environment

Solid state quantum condensates can differ from other condensates, such as Helium, ultracold atomic gases, and superconductors, in that the condensing quasiparticles have relatively short lifetimes, and so, as for lasers, external pumping is required to maintain a steady state. In this chapter we present a non-equilibrium path integral approach to condensation in a dissipative environment and apply it to microcavity polaritons, driven out of equilibrium by coupling to multiple baths, describing pumping and decay. Using this, we discuss the relation between non-equilibrium polariton condensation, lasing, and equilibrium condensation.

cond-mat.quant-gas↗

Order parameter fluctuations at a buried quantum critical point

Quantum criticality is a central concept in condensed matter physics, but the direct observation of quantum critical fluctuations has remained elusive. Here we present an x-ray diffraction study of the charge density wave (CDW) in 2H-NbSe2 at high pressure and low temperature, where we observe a broad regime of order parameter fluctuations that are controlled by proximity to a quantum critical point. X-rays can track the CDW despite the fact that the quantum critical regime is shrouded inside a superconducting phase, and, in contrast to transport probes, allow direct measurement of the critical fluctuations of the charge order. Concurrent measurements of the crystal lattice point to a critical transition that is continuous in nature. Our results confirm the longstanding expectations of enhanced quantum fluctuations in low dimensional systems, and may help to constrain theories of the quantum critical Fermi surface.

cond-mat.str-el↗