We investigate the steady state heat current in two and three dimensional isotopically disordered harmonic lattices. Using localization theory as well as kinetic theory we estimate the system size dependence of the current. These estimates are compared with numerical results obtained using an exact formula for the current given in terms of a phonon transmission function, as well as by direct nonequilibrium simulations. We find that heat conduction by high-frequency modes is suppressed by localization while low-frequency modes are strongly affected by boundary conditions. Our {\color{black}heuristic} arguments show that Fourier's law is valid in a three dimensional disordered solid except for special boundary conditions. We also study the pinned case relevant to localization in quantum systems and often used as a model system to study the validity of Fourier's law. Here we provide the first numerical verification of Fourier's law in three dimensions. In the two dimensional pinned case we find that localization of phonon modes leads to a heat insulator.
Anisotropic disordered system are studied in this work within the random barrier model. In such systems the transition probabilities in different directions have different probability density functions. The frequency-dependent conductivity at low temperatures is obtained using an effective medium approximation. It is shown that the isotropic universal ac-conduction law, $σ\ln σ=u$, is recovered if properly scaled conductivity ($σ$) and frequency ($u$) variables are used.
We study heat conduction in one dimensional (1D) anharmonic lattices analytically and numerically by using an effective phonon theory. It is found that every effective phonon mode oscillates quasi-periodically. By weighting the power spectrum of the total heat flux in the Debye formula, we obtain a unified formalism that can explain anomalous heat conduction in momentum conserved lattices without on-site potential and normal heat conduction in lattices with on-site potential. Our results agree very well with numerical ones for existing models such as the Fermi-Pasta-Ulam model, the Frenkel-Kon…
A general formulation is developed to study heat conduction in disordered harmonic chains with arbitrary heat baths that satisfy the fluctuation-dissipation theorem. A simple formal expression for the heat current J is obtained, from which its asymptotic system-size (N) dependence is extracted. It is shown that the ``thermal conductivity'' depends not just on the system itself but also on the spectral properties of the fluctuation and noise used to model the heat baths. As special cases of our heat baths we recover earlier results which reported that for fixed boundaries $J \sim 1/N^{3/2}$, wh…
We address the question of the effect of disorder on heat conduction in an anharmonic chain with interactions given by the Fermi-Pasta-Ulam (FPU) potential. In contrast to the conclusions of an earlier paper [Phys. Rev. Lett. 86, 63 (2001)] which found that disorder could induce a finite thermal conductivity at low temperatures, we find no evidence of a finite temperature transition in conducting properties. Instead, we find that at low temperatures, small system size transport properties are dominated by disorder but the asymptotic system size dependence of current is given by the usual FPU r…
1. Introduction 2. Molecular dynamics simulation of amorphous carbon structures 3. Atomistic simulation of the bombardment process during the BEN phase of diamond CVD 4. Growth of amorphous silicon 5. One-dimensional hopping in disordered organic solids
A number of basic scientific questions relating to ion conduction in homogeneously disordered solids are discussed. The questions deal with how to define the mobile ion density, what can be learned from electrode effects, what is the ion transport mechanism, the role of dimensionality, and what are the origins of the mixed-alkali effect, of time-temperature superposition, and of the nearly-constant loss. Answers are suggested to some of these questions, but the main purpose of the paper is to draw attention to the fact that this field of research still presents several fundamental challenges.
We report some basic results regarding transport in disordered reaction-diffusion systems with birth (A->2A), death (A->0), and binary competition (2A->A) processes. We consider a model in which the growth process is only allowed to take place in certain areas--"oases"--while the rest of space--the "desert"--is hostile to growth. In the limit of low oasis density, transport is mediated through rare "hopping" events, necessitating the inclusion of discreteness effects in the model. By first considering transport between two oases, we are able to derive an approximate expression for the average …
This paper is concerned with the connection between the properties of dielectric relaxation and ac (alternating-current) conduction in disordered dielectrics. The discussion is divided between the classical linear-response theory and a self-consistent dynamical modeling. The key issues are, stretched exponential character of dielectric relaxation, power-law power spectral density, and anomalous dependence of ac conduction coefficient on frequency. We propose a self-consistent model of dielectric relaxation, in which the relaxations are described by a stretched exponential decay function. Mathe…
Recent scaling results for the AC conductivity of ionic glasses by Roling et al. [Phys. Rev. Lett. vol 78, 2160 (1997)] and Sidebottom [Phys. Rev. Lett. vol 82, 3653 (1999)] are discussed. It is shown that Sidebottom's version of scaling is completely general. A new analytical approximation to the universal AC conductivity of hopping in the extreme disorder limit, the ``diffusion cluster approximation,'' is presented and compared to simulations and experiments.
We study the electron-phonon relaxation (dephasing) rate in disordered semiconductors and low-dimensional structures. The relaxation is determined by the interference of electron scattering via the deformation potential and elastic electron scattering from impurities and defects. We have found that in contrast to the destructive interference in metals, which results in the Pippard ineffectiveness condition for the electron-phonon interaction, the interference in semiconducting structures substantially enhances the effective electron-phonon coupling. The obtained results provide an explanation …
The observation of the local - mode vibration, the two - mode behavior of the LO phonons at large isotope concentration, as well as large line broadening in LIH - D mixed crystals directly evidence strong additional phonon scattering due to the isotope - induced disorder.
We demonstrate the existence of large phononic band gaps in designed hyperuniform (isotropic) disordered two-dimensional (2D) phononic structures of Pb cylinders in epoxy matrix. The phononic band gaps in hyperuniform disordered phononic structures are comparable to band gaps of similar periodic structures, for both out-of-plane and in-plane polarizations. A large number of localized modes is identified near the band edges, as well as, diffusive transmission throughout the rest of the frequency spectrum. Very high-Q cavity modes for both out-of-plane and in-plane polarizations are formed by se…
The low-energy spectrum of graphene nanoribbons with armchair edges (armchair nanoribbons) is described as the superposition of two non-equivalent Dirac points of graphene. In spite of the lack of well-separated two valley structures, the single-channel transport subjected to long-ranged impurities is nearly perfectly conducting, where the backward scattering matrix elements in the lowest order vanish as a manifestation of internal phase structures of the wavefunction. For multi-channel energy regime, however, the conventional exponential decay of the averaged conductance occurs. Since the int…
We investigate the steady state heat current in two and three dimensional disordered harmonic crystals in a slab geometry, connected at the boundaries to stochastic white noise heat baths at different temperatures.The disorder causes short wavelength phonon modes to be localized so the heat current in this system is carried by the extended phonon modes which can be either diffusive or ballistic. Using ideas both from localization theory and from kinetic theory we estimate the contribution of various modes to the heat current and from this we obtain the asymptotic system size dependence of the …
We investigate the effect of spatially correlated disorder on the Anderson transition of phonons in three dimensions using a Greens function based approach, namely, the typical medium dynamical cluster approximation (TMDCA), in mass-disordered systems. We numerically demonstrate that correlated disorder with pairwise correlations mitigates the localization of the vibrational modes. A correlation driven localization-delocalization transition can emerge in a three-dimensional disordered system with an increase in the strength of correlations.
We calculate the scattering rates of phonons on two-level systems in disordered trigonal and hexagonal crystals. We apply a model in which the two-level system, characterized by a direction in space, is coupled to the strain field of the phonon via a tensor of coupling constants. The structure of the tensor of coupling constants is similar to the structure of the tensor of elastic stiffness constants, in the sense that they are determined by the same symmetry transformations. In this way, we emphasize the anisotropy of the interaction of elastic waves with the ensemble of two-level systems in …
We study heat conduction mediated by longitudinal phonons in one dimensional disordered harmonic chains. Using scaling properties of the phonon density of states and localization in disordered systems, we find non-trivial scaling of the thermal conductance with the system size. Our findings are corroborated by extensive numerical analysis. We show that a system with strong disorder, characterized by a `heavy-tailed' probability distribution, and with large impedance mismatch between the bath and the system satisfies Fourier's law. We identify a dimensionless scaling parameter, related to the t…
In this paper we propose that phonons, free diffusive electrons, and diffusion in two-and three--dimensional disordered lattice problems belong to a different class of localization than bonded electrons. This is manifested by three effects that can be observed numerically. First, there are extended states even at two dimensions, whereas there are no extended states in the usual electronic models. Second, the correlation length does not diverge at the mobility edges in three dimensions, and finally, the participation ratio of the extended states, decays to zero at this edge. This indicates zero…
In the present communication we consider the one-dimensional (1D) isotopically disordered lattice with the harmonic potential. Our analytical method is adequate for any 1D lattice where potential energy can be presented as the quadratic form $U=\frac12 \sum_{i,j} q(i) U_{ij} q(j)$, where $q(i)$ -- coordinate or velocity of $i$-th particle. There are derived the closed system of equations for the temporal behavior of the correlation functions. The final expressions allow to calculate the kinetics and dynamics of the system -- energy, temperature profile, thermal conduction and others. There is …
In the previous paper [Yamada, Chaos, Solitons $\&$ Fractals, {\bf 109},99(2018)], we investigated localization properties of one-dimensional disordered electronic system with long-range correlation generated by modified Bernoulli (MB) map. In the present paper, we report localization properties of phonon in disordered harmonic chains generated by the MB map. Here we show that Lyapunov exponent becomes positive definite for almost all frequencies $ω$ except $ω=0$, and the $B-$dependence changes to exponential decrease for $B > 2 $, where $B$ is a correlation parameter of the MB map. The distri…
In a recent paper [Phys. Rev. B{\bf57}, 3375 (1998)], we examined in detail the nonlinear (electrical) dc response of a random resistor cum tunneling bond network ($RRTN$, introduced by us elsewhere to explain nonlinear response of metal-insulator type mixtures). In this work which is a sequel to that paper, we consider the ac response of the $RRTN$-based correlated $RC$ ($CRC$) model. Numerical solutions of the Kirchoff's laws for the $CRC$ model give a power-law exponent (= 0.7 near $p = p_c$) of the modulus of the complex ac conductance at moderately low frequencies, in conformity with expe…
Weak localization has a strong influence on both the normal and superconducting properties of metals. In particular, since weak localization leads to the decoupling of electrons and phonons, the temperature dependence of resistance decreases with increasing disorder, as manifested by Mooij's empirical rule. In addition, Testardi's universal correlation of Tc and the resistance ratio follows. We show that weak localization leads to the similar correction to other physical quantities, such as electronic thermal resistivity, electronic heat capacity, and ultrasonic attenuation, which are controll…
Charge and thermal conductivities are the most important parameters of carbon nanomaterials as candidates for future electronics. In this paper we address the effects of Anderson type disorder in long semiconductor carbon nanotubes (CNTs) to electron charge conductivity and lattice thermal conductivity using the atomistic Green function approach. The electron and phonon transmissions are analyzed as a function of the length of the disordered nanostructures. The thermal conductance as a function of temperature is calculated for different lengths. Analysis of the transmission probabilities as a …
We consider the localization properties of a lattice of coupled masses and springs with random mass and spring constant values. We establish the full phase diagrams of the system for pure mass and pure spring disorder. The phase diagrams exhibit regions of stable as well as unstable wave modes. The latter are of interest for the instantaneous-normal-mode spectra of liquids and the nascent field of acoustic metamaterials. We show the existence of delocalization-localization transitions throughout the phase diagram and establish, by high-precision numerical studies, that the universality of thes…
A solid conducts heat through both transverse and longitudinal acoustic phonons, but a liquid employs only longitudinal vibrations. Here, we report that the crystalline solid AgCrSe2 has liquid-like thermal conduction. In this compound, Ag atoms exhibit a dynamic duality that they are exclusively involved in intense low-lying transverse acoustic phonons while they also undergo local fluctuations inherent in an order-to-disorder transition occurring at 450 K. As a consequence of this extreme disorder-phonon coupling, transverse acoustic phonons become damped as approaching the transition temper…
The lattice dynamics in substitutional disordered alloys with constituents having large size differences is driven by strong disorder in masses, inter-atomic force constants and local environments. In this letter, a new first-principles approach based on special quasi random structures and itinerant coherent potential approximation to compute the phonon spectra of such alloys is proposed and applied to Ni$_{0.5}$Pt$_{0.5}$ alloy. The agreement between our results with the experiments is found to be much better than for previous models of disorder due to an accurate treatment of the interplay o…
We have developed an efficient order-N real-space Kubo approach for the calculation of the phonon conductivity which outperforms state-of-the-art alternative implementations based on the Green's function formalism. The method treats efficiently the time-dependent propagation of phonon wave packets in real space, and this dynamics is related to the calculation of the thermal conductance. Without loss of generality, we validate the accuracy of the method by comparing the calculated phonon mean free paths in disordered carbon nanotubes (isotope impurities) with other approaches, and further illus…
The phonon scattering processes on the three solid phases of ethanol are investigated by means of thermal conductivity, light and neutron scattering measurements as well as molecular dynamics simulations on single-crystalline models for the two crystalline modifications (fully ordered monooclinic and orientationally disordered bcc phases). The orientationally disordered crystal is found to exhibit a temperature dependence of the thermal conductivity that is remarkably close to that found for the structurally amorphous solid, specially at low temperatures. The results, together with measurement…
Short-range order in strongly disordered structures plays an important role in their heat conduction property. Using numerical and analytical methods, we show that short-range spatial correlation (with a correlation length of $Λ_{m}$) in the mass distribution of the one-dimensional (1D) alloy-like random binary lattice leads to a dramatic enhancement of the high-frequency phonon transmittance but also increases the low-frequency phonon opacity. High-frequency semi-extended states are formed while low-frequency modes become more localized. This results in ballistic heat conduction at finite len…
Using the weak-localization method, we have measured the electron-phonon scattering times $τ_{ep}$ in Pd$_{60}$Ag$_{40}$ thick films prepared by DC- and RF-sputtering deposition techniques. In both series of samples, we find an anomalous $1/τ_{ep} \propto T^2\ell$ temperature and disorder dependence, where $\ell$ is the electron elastic mean free path. This anomalous behavior cannot be explained in terms of the current concepts for the electron-phonon interaction in impure conductors. Our result also reveals that the strength of the electron-phonon coupling is much stronger in the DC than RF s…
The translational symmetry of solids gives rise to the existence of low-frequency phonons. In ordered systems, some phonons characterized by different wavevectors are degenerate, i.e. they share the same frequency $ω$; in finite-size systems, phonons form a discrete set of bands with $n_q(ω)$-fold degeneracy. Here we focus on understanding how this degeneracy is lifted in the presence of disorder, and its physical implications. Using standard degenerate perturbation theory and simple statistical considerations, we predict the dependence of the disorder-induced frequency width of phonon bands t…
Based on the statistical dynamical mean field theory, we investigate, in a generic model for a strongly coupled disordered electron-phonon system, the competition between polaron formation and Anderson localization. The statistical dynamical mean field approximation maps the lattice problem to an ensemble of self-consistently embedded impurity problems. It is a probabilistic approach, focusing on the distribution instead of the average values for observables of interest. We solve the self-consistent equations of the theory with a Monte-Carlo sampling technique, representing distributions for r…
In this article we present numerical results of conduction in a disordered quasi-1D wire in the possible presence of magnetic impurities. Our analysis leads us to the study of universal properties in different conduction regimes such as the localized and metallic ones. In particular, we analyse the cross-over between universality classes occurring when the strength of magnetic disorder is increased. For this purpose, we use a numerical Landauer approach, and derive the scattering matrix of the wire from electron's Green's function.
We have measured directly the thermal conductance between electrons and phonons in ultra-thin Hf and Ti films at millikelvin temperatures. The experimental data indicate that electron-phonon coupling in these films is significantly suppressed by disorder. The electron cooling time $τ_ε$ follows the $T^{-4}$-dependence with a record-long value $τ_ε=25ms$ at $T=0.04K$. The hot-electron detectors of far-infrared radiation, fabricated from such films, are expected to have a very high sensitivity. The noise equivalent power of a detector with the area $1\mum^2$ would be $(2-3)10^{-20}W/Hz^{1/2}$, w…
We suggest universal expressions for the rates of charge transition between molecules in organic disordered semiconductors, which differ between electrons and holes. The donor and acceptor molecules (monomers) are represented in terms of their frontier orbitals, with asymptotic tails reflecting the different asymptotic potential wells which bind different charge carriers. This model predicts an asymmetry of the tunnel factors and the interaction with phonon field with respect to electrons and holes, leading to different formulas for the transition rates and the thermal mobility of the differen…
Hybrid quantum-classical matrix-product state and Lanczos methods for electron-phonon systems with strong electronic correlations: Application to disordered systems coupled to Einstein phonons
Georg-August-Universität Göttingen（哥廷根大学）；Max Planck Institute for the Physics of Complex Systems（马克斯·普朗克复杂系统物理研究所）
The effect of disorder on lattice vibrational modes has been a topic of interest for several decades. In this work, we employ a Green's function based approach, namely the dynamical cluster approximation (DCA), to investigate phonons in mass disordered systems. Detailed benchmarks with previous exact calculations are used to validate the method in a wide parameter space. An extension of the method, namely the typical medium DCA (TMDCA), is used to study Anderson localization of phonons in three dimensions. We show that, for binary isotopic disorder, lighter impurities induce localized modes be…
Combining the self-consistent theory of localization and the dynamical mean-field theory, we present a theoretical approach capable of describing both self-trapping of charge carriers during the process of polaron formation and disorder-induced Anderson localization. By constructing random samples for the local density of states (LDOS) we analyze the distribution function for this quantity and demonstrate that the typical rather than the mean LDOS is a natural measure to distinguish between itinerant and localized states. Significant polaron effects on the mobility edge are found.
We calculate the heat flux and electron-phonon thermal conductance in a disordered graphene sheet, going beyond a Fermi's Golden rule approach to fully account for the modification of the electron-phonon interaction by disorder. Using the Keldysh technique combined with standard impurity averaging methods in the regime $k_F l >> 1$ (where $k_F$ is the Fermi wavevector, l the mean free path), we consider both scalar potential (i.e. deformation potential) and vector potential couplings between electrons and phonons. We also consider the effects of electronic screening at the Thomas-Fermi level. …
A double exchange model with quenched disorder for conduction electrons is studied by field theoretical methods. By using a path integral formalism and replica techniques based on it, an ensemble-averaged spin wave dispersion of the localized spins is derived. It is shown that the spectrum of the spin wave has gaps at the multiple of the Fermi wavenumber of the conduction electrons in the presence of disorder, and hence, quenched disorder for electrons adds a striking effect to the dynamics of the localized spins. In the strong disorder limit, the present results suggest spin-glass like behavi…
The process of heat conduction in one-dimensional lattice with on-site potential is studied by means of numerical simulation. Using discrete Frenkel-Kontorova, $ϕ$--4 and sinh-Gordon we demonstrate that contrary to previously expressed opinions the sole anharmonicity of the on-site potential is insufficient to ensure the normal heat conductivity in these systems. The character of the heat conduction is determined by the spectrum of nonlinear excitations peculiar for every given model and therefore depends on the concrete potential shape and temperature of the lattice. The reason is that the pe…
The low temperature universal properties in disordered and amorphous solids are considered. We introduce a model that includes two types of two level systems (TLSs), which, based on their local symmetry, interact weakly or strongly with the phonon field. This accounts well for the experimental results, and addresses some long-standing questions: the nature of the TLSs; the smallness and universality of the phonon attenuation, and the energy scale of $3$K below which universality is observed. Our model describes disordered lattices; we also discuss its application to amorphous solids.
We performed direct calculations of carrier hopping rates in strongly disordered conjugated polymers based on the atomic structure of the system, the corresponding electronic states and their coupling to all phonon modes. We found that the dependence of hopping rates on distance and the dependence of the mobility on temperature are significantly different than the ones stemming from the simple Miller-Abrahams model, regardless of the choice of the parameters in the model. A new model that satisfactorily describes the hopping rates in the system and avoids the explicit calculation of electron-p…
We apply the model introduced in Phys. Rev. B 75, 064202 (2007), cond-mat/0610469, to calculate the anisotropy effect in the interaction of two level systems with phonons in disordered crystals. We particularize our calculations to cubic crystals and compare them with the available experimental data to extract the parameters of the model. With these parameters we calculate the interaction of the dynamical defects in the disordered crystal with phonons (or sound waves) propagating along other crystalographic directions, providing in this way a method to investigate if the anisotropy comes from …
Weak localization leads to the same correction to both the conductivity and the McMillan's electron-phonon coupling constant $λ$ (and $λ_{tr}$). Consequently the temperature dependence of the thermal electrical resistivity is decreasing as the conductivity is decreasing due to weak localization, which results in the decrease of the temperature coefficient of resistivity (TCR) with increasing the residual resistivity. When $λ$ and $λ_{tr}$ are approaching zero, only residual resistivity part remains and gives rise to the negative TCR. Accordingly, the Mooij rule is a manifestation of weak local…
We introduce a technique to calculate thermal conductivity in disordered nanostructures: a finite-difference time-domain (FDTD) solution of the elastic wave equation combined with the Green-Kubo formula. The technique captures phonon wave behavior and scales well to nanostructures that are too large or too surface disordered to simulate with many other techniques. We investigate the role of Rayleigh waves and surface disorder on thermal transport by studying graphenelike nanoribbons with free edges (allowing Rayleigh waves) and fixed edges (prohibiting Rayleigh waves). We find that free edges …
