Intrinsic charge transport on the surface of organic semiconductors

The air-gap field-effect technique enabled realization of the intrinsic (not limited by static disorder) polaronic transport on the surface of rubrene (C42H28) crystals over a wide temperature range. The signatures of this intrinsic transport are the anisotropy of the carrier mobility, mu, and the growth of mu with cooling. Anisotropy of mu vanishes in the activation regime at low temperatures, where the transport is dominated by shallow traps. The deep traps, introduced by x-ray radiation, increase the field-effect threshold without affecting mu, an indication that the filled traps do not scatter polarons.     

极化子比率变化对自旋注入有机半导体性质的影响

从自旋扩散方程和欧姆定律出发研究了铁磁层到有机半导体的自旋注入,得到了系统的电流自旋极化率。有机半导体中的载流子为自旋极化子和不带自旋的双极化子,极化子比率在有机半导体内随输运距离变化。通过计算发现匹配的铁磁和有机半导体电导率有利于自旋注入;通过调节界面电阻自旋相关性,电流自旋极化率可获得很大程度提高;极化子比率衰减速率对有机半导体电流自旋极化率具有非常重要的影响。     

In-crystal and surface charge transport of electric-field-induced carriers in organic single-crystal semiconductors

Gate-voltage dependence of carrier mobility is measured in high-performance field-effect transistors of rubrene single crystals by simultaneous detection of the longitudinal conductivity sigma(square) and Hall coefficient R(H). The Hall mobility mu(H) (identical with sigma(square)R(H)) reaches nearly 10 cm(2)/V s when relatively low-density carriers (<10(11) cm(-2)) distribute into the crystal. mu(H) rapidly decreases with higher-density carriers as they are essentially confined to the surface and are subjected to randomness of the amorphous gate insulators. The mechanism to realize high carrier mobility in the organic transistor devices involves intrinsic-semiconductor character of the high-purity organic crystals and diffusive bandlike carrier transport in the bulk.     

Anisotropic charge transport in flavonoids as organic semiconductors

A quantum mechanical approach has been used to investigate on the potential for using two naturally occurring flavonoids: quercetin and luteolin as candidates for organic semiconductor. Selection of flavonoids enables to evaluate the effects of hydroxyl group structural features. The relationship between molecular packing and charge transport in flavonoids is presented. The calculated results indicate that quercetin should be an ideal candidate as high-performance p-type organic semiconductor material, while luteolin is predicted as n-type organic semiconductor material. The predicted maximum electron mobility value of quercetin is 0.075 cm² V^?1 s^?1, which appears at the orientation angle near 91°/271° of conducting channel on the reference planes b–c. Theoretical investigation of natural semiconductors is helpful for designing higher performance electronic materials used in biochemical and industrial field to replace expensive and rare organic materials.     

Recent advances in spin transport in organic semiconductors

The spin relaxation time is long in organic semiconductors because of the weak spin-orbit and hyperfine interactions,leading to intensive study on spin transport in organic semiconductors.The rapid progress towards utilizing spin degree of freedom in organic electronic devices is occurring.While the spin injection,transport and detection in organic semiconductors are demonstrated,the fundamental physics of these phenomena remains unclear.This paper highlights recent progress that has been made,focusing primarily on present experimental work.     

Hall effect in the accumulation layers on the surface of organic semiconductors

We have observed the Hall effect in the field-induced accumulation layer on the surface of single-crystal samples of a small-molecule organic semiconductor rubrene. The Hall mobility muH increases with decreasing temperature in both the intrinsic (high-temperature) and trap-dominated (low-temperature) conduction regimes. In the intrinsic regime, the density of mobile field-induced charge carriers extracted from the Hall measurements, nH, coincides with the density n calculated using the gate-channel capacitance and becomes smaller than n in the trap-dominated regime. The Hall data are consistent with the diffusive bandlike motion of field-induced charge carriers between trapping events.     

Exciton dynamics at interfaces of organic semiconductors

We review recent progress of using time-resolved two-photon photoelectron spectroscopy (2PPE) to study the energetics and dynamics of excitons at surfaces and interfaces of two prototypical organic semiconductors: C₆₀ and pentacene. For C₆₀ thin films epitaxially grown on Au(1 1 1) and Cu(1 1 1) surfaces, we observe both charge transfer and exciton states. For excitons in C₆₀, the proximity of a metal surface leads to rapid, exciton band-mediated quenching. At the surface of pentacene thin films we observe a series of charge-transfer excitons where the electron and the photohole are bound across the interface. The ability of 2PPE to measure and directly relate exciton levels to single-electron levels is illustrated.     

Discontinuity of the surface polaron

Using the Feynman's path integral method, energies and masses are calculated for various types of a surface polaron. It is shown that, when the electron-surface phonon interaction becomes strong, surface optical phonon yields continuous change from free to self-trapped states. On the other hand surface acoustic phonon yields discontinuous change for the deformation type interaction and continuous change for the piezoelectric interaction. All these results reflect the character of the force range of the electron-surface phonon interaction.     

Effect of multisite traps on hydrogen transport in solids

The transport of hydrogen isotopes in solids is an important problem for a series of applications, in particular, for future thermonuclear reactors. The main processes determining transport are the diffusion of dissolved hydrogen and its interaction with lattice defects. It is known that vacancies in a metal can capture not only one hydrogen atom, but several at the same time. General equations describing hydrogen transport in this case are presented. Special attention is focused on the influence of this effect on the thermal desorption spectra. An experimental scheme making it possible to establish the capture of several atoms to traps is proposed.     

Role of polaron pair diffusion and surface losses in organic semiconductor devices

By applying Monte Carlo simulations we find that the extraction of bound polaron pairs (PP) at the electrodes is an important loss factor limiting the efficiency of organic optoelectronic and photovoltaic devices. Based upon this finding, we develop a unified analytic model consisting of exact Onsager theory describing the dissociation of PP in organic donor-acceptor heterojunctions, the Sokel-Hughes model for the extraction of free polarons at the electrodes, as well as of PP diffusion leading to the aforementioned loss mechanism, which was not considered previously. Our approach allows us to describe the simulation details on a macroscopic scale and to gain fundamental insights, which is important in view of developing an optimized photovoltaic device configuration.     

Tuning charge transport in organic semiconductors with nanoparticles and hexamethyldisilazane

Journal of Nanoparticle Research - A sensitive and selective fluorescent nitrogen-doped carbon dots (N-CDs) probe was synthesized by using glucosamine as a single reagent in a one-step hydrothermal...     

Effect of interfacial coupling on rectification in organic spin rectifiers

The effect of interfacial coupling on rectification in an organic co-oligomer spin diode is investigated theoretically by considering spin-independent and spin-resolved couplings respectively. In the case of spin-independent coupling, an optimal interfacial coupling strength with a significant enhanced rectification ratio is found, whose value depends on the structural asymmetry of the molecule. In the case of spin-resolved coupling, we found that only the variation of the interfacial coupling with specific spin is effective to modulate the rectification, which is due to the spin-filtering property of the central asymmetric magnetic molecule. A transition of the spin-current rectification between parallel spin-current rectification and antiparallel spin-current rectification may be observed with the variation of the spin-resolved interfacial coupling. The interfacial effect on rectification is further analyzed from the spin-dependent transmission spectrum at different biases.     

Determination of shallow traps in n-type GaP

The effect of shallow trapping centers on the electron life time (τ_η) in n-type (S doped) GaP has been investigated by photoconductivity measurements. The values of τ_η as a function of temperature and light intensity give information on the centers acting as traps. The basic assumption of the theory, that there is only one type of trap, is verified by the two types of experiments. There is also indication that S impurities act as traps.     

Universal arrhenius temperature activated charge transport in diodes from disordered organic semiconductors

Charge transport models developed for disordered organic semiconductors predict a non-Arrhenius temperature dependence ln(mu) proportional, variant1/T(2) for the mobility mu. We demonstrate that in space-charge limited diodes the hole mobility (micro(h)) of a large variety of organic semiconductors shows a universal Arrhenius temperature dependence micro(h)(T) = micro(0)exp(-Delta/kT) at low fields, due to the presence of extrinsic carriers from the Ohmic contact. The transport in a range of organic semiconductors, with a variation in room temperature mobility of more than 6 orders of magnitude, is characterized by a universal mobility micro(0) of 30-40 cm(2)/V s. As a result, we can predict the full temperature dependence of their charge transport properties with only the mobility at one temperature known.     

Effect of dynamical traps on chaotic transport in a meandering jet flow

We continue our study of chaotic mixing and transport of passive particles in a simple model of a meandering jet flow [Prants et al., Chaos 16, 033117 (2006)]. In the present paper we study and phenomenologically explain a connection between dynamical, topological, and statistical properties of chaotic mixing and transport in the model flow in terms of dynamical traps, singular zones in the phase space where particles may spend an arbitrarily long but finite time [Zaslavsky, Phys. D 168-169, 292 (2002)]. The transport of passive particles is described in terms of lengths and durations of zonal flights which are events between two successive changes of sign of zonal velocity. Some peculiarities of the respective probability density functions for short flights are proven to be caused by the so-called rotational-island traps connected with the boundaries of resonant islands (including the vortex cores) filled with the particles moving in the same frame and the saddle traps connected with periodic saddle trajectories. Whereas, the statistics of long flights can be explained by the influence of the so-called ballistic-islands traps filled with the particles moving from a frame to frame.     

Effect of Pauli principle on transport properties of some crystalline compound semiconductors

The effect of Pauli principle on drift velocity is studied numerically for n-type tetrahedral semiconductors (GaAs, InP, CdTe, InAs and InSb). The method used is the standard quasiclassical Monte Carlo simulation. The electron concentrations range from 10¹⁵ cm^?3 to 10¹⁹ cm^?3. The Pauli principle effects become important above 10¹⁷ cm^?3.     

Energy level alignment of blended organic semiconductors and electrodes at the interface

The energy level alignment of a blended mixture of organic semiconductors is often depicted as having a common vacuum level. However, this is not a universal phenomenon among the vast number of organic semiconductors that currently exist, as in many cases the energy levels align via the Fermi level. In this report, the energy level alignments of the mixtures; poly(9-vinylcarbazole) (PVK) and 2,7-bis(diphenylphosphoryl)-9,9′-spirobifluorene (SPPO13) and poly(3-hexylthiophene-2,5-diyl) (P3HT) and SPPO13, with varying SPPO13 concentrations, are measured. It was found that the blended systems exhibit two different vacuum levels with the dipole between the PVK and SPPO13 increasing with the SPPO13 concentration, whilst the P3HT and SPPO13 vacuum levels only experience a small change. This is attributed to the decreasing electronic screening with increasing SPPO13 concentration. These new observations have an important implication in our understanding of interfacial behaviour for blended systems commonly used in various organic electronic devices.     

一维导电共聚物中极化子输运的动力学研究

利用非绝热动力学方法,理论上研究了一维导电共聚物[-(PT)x-(PPP)y]z-(PT)x-中的极化子在外电场作用下的动力学输运性质.研究发现,极化子在共聚物中不易传输,其运动敏感地依赖于嵌段间界面的耦合;嵌段尺度对于极化子的运动具有重要的影响.所得结果与相关实验一致.     

First-principle calculation of the recombination cross-section assisted by acoustic phonons at shallow impurities in semiconductors

Summary An original Monte Carlo study of the equilibrium microscopic and macroscopic recombination cross-sections at shallow impurity centres is presented. Both cross-sections are investigated in lightly dopedp-Si as functions of the temperature and ionized acceptor concentration. In order to treat generation-recombination processes we extend the semi-classical Boltzmann equation through a simulation of the carrier motion in the energy-configuration space of an impurity centre. The analysis of the scattering rates as a function of the total carrier energy enables a microscopic interpretation of the capture process to be carried out. The role of excited levels is naturally included and found to be of main importance at increasing lattice temperatures. Numerical results are then compared with available experiments and existing analytical calculations.