General properties of the hopping transport of charge carriers in amorphous organic and inorganic materials are discussed. We consider the case where the random energy landscape in the materials is strongly spatially correlated. This is a very typical situation in the organic materials having the Gaussian density of states (DOS) and may be realized in some materials with the exponential DOS. We demonstrate that the different type of DOS leads to a very different functional form of the mobility field dependence even in the case of the identical correlation function of random energy. We provide important arguments in favor of the significant contribution of the local orientational order to the total magnitude of the energetic disorder in organic materials. A simple but promising model of charge transport in highly anisotropic composites materials is suggested.
We discuss memory effects in the conductance of hopping insulators due to slow rearrangements of structural defects leading to formation of polarons close to the electron hopping states. An abrupt change in the gate voltage and corresponding shift of the chemical potential change populations of the hopping sites, which then slowly relax due to rearrangements of structural defects. As a result, the density of hopping states becomes time dependent on a scale relevant to rearrangement of the structural defects leading to the excess time dependent conductivity.
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
We have proposed a kind of nonvolatile resistive switching memory based on amorphous LaLuO3, which has already been established as a promising candidate of high-k gate dielectric employed in transistors. Well-developed unipolar switching behaviors in amorphous LaLuO3 make it suited for not only logic but memory applications using the conventional semiconductor or the emerging nano/CMOS architectures. The conduction transition between high- and low- resistance states is attributed to the change in the separation between oxygen vacancy sites in the light of the correlated barrier hopping theory.…
Amorphous molybdenum silicide compounds have attracted significant interest for potential device applications, particularly in single-photon detector. In this work, the temperature-dependent resistance and magneto-resistance behaviors were measured to reveal the charge transport mechanism, which is of great importance for applications but is still insufficient. It is found that Mott variable hopping conductivity dominates the transport of sputtered amorphous molybdenum silicide thin films. Additionally, the observed magneto-resistance crossover from negative to positive is ascribed to the inte…
The low-field electron diffusion, noise, and the conduction in amorphous chalcogenides are investigated by means of a Monte Carlo implementation of a full three- dimensional variable-range hopping transport model between localized states. Quantities like the carrier-velocity autocorrelation function, the noise power spectrum, the diffusion coefficient and the ohmic conductivity are obtained from numerical simulations at room temperatures and lower. Some interesting features of the linear-response regime typical of hopping transport are observed and discussed for the case of the amorphous Ge2Sb…
A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications, many more applications exist where machine learning can make a strong impact. To enable faster development of machine-learning-based models for such applications, we have created a framework capable of being applied to a broad range of materials data. Our method works by using a chemically diverse list of attributes, which we demonstrate are suitable for de…
New carbon forms exhibiting extraordinary physico-chemical properties can be generated from nanostructured precursors under extreme pressure. Nevertheless, synthesis of such fascinating materials is often not well understood that results, as is the case of C60 precursor, in irreproducibility of the results and impeding further progress in the materials design. Here the semiconducting amorphous carbon having bandgaps of 0.1-0.3 eV and the advantages of isotropic superhardness and superior toughness over single-crystal diamond and inorganic glasses are produced from transformation of fullerene a…
Thermal transport in solids changes its nature from phonon propagation that suffers from perturbative scattering to thermally activated hops between localized vibrational modes as the level of disorder increases. Models have been proposed to understand these two distinct extremes that predict opposite temperature dependence of the thermal conductivity, but not for the transition or the intermediate regime. Here we explore thermal transport in two-dimensional crystalline and amorphous silica with varying levels of disorder, α, by performing atomistic simulations as well as analysis based on the…
Inspired by Holstein's work on small polaron hopping, the evolution equations of localized states and extended states in presence of atomic vibrations are derived for an amorphous semiconductor. The transition probabilities are obtained for four types of transitions: from one localized state to another localized state, from a localized state to an extended state, from an extended state to a localized state, and from one extended state to another extended state. At a temperature not too low, any process involving localized state is activated. The computed mobility of the transitions between loc…
Two types of amorphous functional materials, based on lightsensitive inorganic compounds like Se and As20Se80 chalcogenide glass (ChG) were investigated with the aim to establish the influence of plasmonic fields, excited by the band-gap light in nanocomposite layers made of these compounds and gold nanoparticles on their photomechanical response. Both these basic materials are characterized by pronounced photoplastic effect and used for real-time optical recording of optoelectronic elements (based mainly on surface relief gratings) due to high photofluidity and polarization-dependent masstran…
In a tight binding framework, we analyze the characteristics of electronic states in strongly disordered materials (hopping sites are placed randomly with no local order) with tunneling matrix elements decaying exponentially in the atomic separation with various decay ranges l examined. We calculate the density of states (DOS) and the Inverse Participation Ratio (IPR) for amorphous atomic configurations in one, two, and three dimensions. With a finite size scaling analysis of the IPR statistical distributions, it is shown that states are either extended or localized for a particular energy, an…
Investigation of Hopping Conduction and Its Impact on the Subthreshold and Transition Region Transport in Oxide Semiconductor Transistors by Magneto-Transport Measurements
National Key Laboratory of Advanced Micro and Nano Manufacture Technology and School of Information Science and Electronic Engineering, Shanghai Jiao Tong University（上海交通大学信息科学与电子工程学院）；School of Integrated Circuits, Huazhong University of Science and Technology（华中科技大学集成电路学院）
The topological properties of materials are, until now, associated with the features of their crystalline structure, although translational symmetry is not an explicit requirement of the topological phases. Recent studies of hopping models on random lattices have demonstrated that amorphous model systems show a nontrivial topology. Using {\it ab initio} calculations we show that two-dimensional amorphous materials can also display topological insulator properties. More specifically, we present a realistic state-of-the-art study of the electronic and transport properties of amorphous bismuthene…
Covalent amorphous semiconductors, such as amorphous silicon (a-Si) and germanium (a-Ge), are commonly believed to have localized electronic states at the top of the valence band and the bottom of the conduction band. Electrical conductivity is thought to be by the hopping mechanism through localized states. The carrier mobility of these materials is usually very low, in the order of ~10^-3 - 10^-2 cm^2/(Vs) at room temperature. In this study, we present the Hall effect characterization of a-Ge prepared by self-ion implantation of Ge ions. The a-Ge prepared by this method is highly homogenous …
We present a contactless method for measuring charge in a thin film of amorphous germanium (a-Ge) with a nanoscale silicon MOSFET charge sensor. This method enables the measurement of conductance of the a-Ge film even in the presence of blocking contacts. At high bias voltage, the resistance of the contacts becomes negligible and a direct measurement of current gives a conductance that agrees with that from the measurement of charge. This charge-sensing technique is used to measure the temperature- and field-dependence of the conductance, and they both agree with a model of Mott variable-range…
Single-orbital tight-binding model for chiral one-dimensional hybrid organic-inorganic lead halide perovskites
Waseda Institute for Advanced Study, Waseda University（早稻田大学先进研究院）；Institute for Materials Research, Tohoku University（东北大学物质材料研究所学）；Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University（早稻田大学理工学术院化学·生物化学系）；Department of Applied Physics, Tokyo University of Science（东京理科大学应用物理系）
Molecular dynamics simulations are performed to investigate heterogeneous dynamics in amorphous glassy materials under oscillatory shear strain. We consider three-dimensional binary Lennard-Jones mixture well below the glass transition temperature. The structural relaxation and dynamical heterogeneity are quantified by means of the self-overlap order parameter and the dynamic susceptibility. We found that at sufficiently small strain amplitudes, the mean square displacement exhibits a broad sub-diffusive plateau and the system undergoes nearly reversible deformation over about $10^4$ cycles. U…
We have developed a multi-scale model for organic-inorganic hybrid perovskites (HPs) that applies quantum mechanical (QM) calculations of small HP supercell models to large coarse-grained structures. With a mixed quantum-classical hopping model, we have studied the effects of cation disorder on charge mobilities in HPs, which is a key feature to optimize their photovoltaic performance. Our multi-scale model parametrizes the interaction between neighboring methylammonium cations (MA$^+$) in the prototypical HP material, methylammonium lead triiodide (CH$_3$NH$_3$PbI$_3$, or MAPbI$_3$). For the …
We report on extended investigation of the thermal transport and acoustical properties on hard carbon samples obtained by pressurization of C60 fullerene. Structural investigations performed by different techniques on the same samples indicate a very inhomogeneous structure at different scales, based on fractal-like amorphous clusters on the micrometer to submillimetre scale, which act as strong acoustic scatterers, and scarce microcrystallites on the nanometer scale. Ultrasonic experiments show a rapid increase in the attenuation with frequency, corresponding to a decrease in the localization…
The correlation between the transport properties and structural degrees of freedom of conducting polymers is a central concern in both practical applications and scientific research. In this study, we demonstrated the existence of mesoscopic two-dimensional (2D) coherent charge transport in poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) film by performing structural investigations and high-field magnetoconductance (MC) measurements in magnetic fields of up to 15 T. We succeeded in observing marked positive MCs reflecting 2D electronic states in a conventional drop-cast fil…
