Modeling of radiation damage recovery in particle detectors based on GaN

NASA Astrophysics Data System (ADS)

Gaubas, E.; Ceponis, T.; Pavlov, J.

2015-12-01

The pulsed characteristics of the capacitor-type and PIN diode type detectors based on GaN have been simulated using the dynamic and drift-diffusion models. The drift-diffusion current simulations have been implemented by employing the commercial software package Synopsys TCAD Sentaurus. The bipolar drift regime has been analyzed. The possible internal gain in charge collection through carrier multiplication processes determined by impact ionization has been considered in order to compensate carrier lifetime reduction due to radiation defects introduced into GaN material of detector.

Simulations of Operation Dynamics of Different Type GaN Particle Sensors

PubMed Central

Gaubas, Eugenijus; Ceponis, Tomas; Kalesinskas, Vidas; Pavlov, Jevgenij; Vysniauskas, Juozas

2015-01-01

The operation dynamics of the capacitor-type and PIN diode type detectors based on GaN have been simulated using the dynamic and drift-diffusion models. The drift-diffusion current simulations have been implemented by employing the software package Synopsys TCAD Sentaurus. The monopolar and bipolar drift regimes have been analyzed by using dynamic models based on the Shockley-Ramo theorem. The carrier multiplication processes determined by impact ionization have been considered in order to compensate carrier lifetime reduction due to introduction of radiation defects into GaN detector material. PMID:25751080

Laser-induced generation of surface periodic structures in media with nonlinear diffusion

NASA Astrophysics Data System (ADS)

Zhuravlev, V. M.; Zolotovskii, I. O.; Korobko, D. A.; Morozov, V. M.; Svetukhin, V. V.; Yavtushenko, I. O.; Yavtushenko, M. S.

2017-12-01

A model of fast formation of high-contrast periodic structure appearing on a semiconductor surface under action of laser radiation is proposed. The process of growing a surface structure due to the interaction surface plasmon- polaritons excited on nonequilibrium electrons with incident laser radiation are considered in the framework of a medium with nonlinear diffusion of nonequilibrium carriers (defects). A resonance effect of superfast pico- and subpicosecond amplification of the plasmon-polariton structure generated on the surface, the realization of which can result in a high-contrast defect lattice.

Characterization of Atomic-Layer-Deposited (ALD) Al2O3-Passivated Sub-50-μm-thick Kerf-less Si Wafers by Controlled Spalling

NASA Astrophysics Data System (ADS)

Lee, Yong Hwan; Cha, Hamchorom; Choi, Sunho; Chang, Hyo Sik; Jang, Boyun; Oh, Jihun

2018-05-01

A systematic characterization of sub-50-μm-thick, kerf-less monocrystalline Si wafers fabricated by a controlled fracture method is presented. The spalling process introduces various defects on the Si surface, which result in high surface roughness levels, residual stress, and low effective minority carrier lifetimes. In addition, metals used to induce fracturing in Si diffuse in the Si at room temperature and degrade the effective minority carrier lifetime. Selective removal of these defected Si regions improves the residual stress and effective lifetimes of spalled Si wafers.

Phosphorus ionization in silicon doped by self-assembled macromolecular monolayers

NASA Astrophysics Data System (ADS)

Wu, Haigang; Li, Ke; Gao, Xuejiao; Dan, Yaping

2017-10-01

Individual dopant atoms can be potentially controlled at large scale by the self-assembly of macromolecular dopant carriers. However, low concentration phosphorus dopants often suffer from a low ionization rate due to defects and impurities introduced by the carrier molecules. In this work, we demonstrated a nitrogen-free macromolecule doping technique and investigated the phosphorus ionization process by low temperature Hall effect measurements. It was found that the phosphorus dopants diffused into the silicon bulk are in nearly full ionization. However, the electrons ionized from the phosphorus dopants are mostly trapped by deep level defects that are likely carbon interstitials.

First-Principles Study of Native Defects in TlBr: Carrier Trapping, Compensation, and Polarization Phemomenon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Du, Mao-Hua

2010-01-01

First-principles calculations are carried out to study the native defect properties in TlBr. Three important results emerge: (1) the native defects are benign in terms of electron trapping because the low-energy defects do not induce electron traps; (2) the dominant defects in nearly stoichiometric TlBr are Schottky defects that pin the Fermi level near the midgap, leading to high resistivity; and (3) the calculated low diffusion barriers for several native defects show that ionic conductivity can occur at room temperature. The important impacts of these material properties on the room-temperature radiation detection using TlBr are discussed.

First-principles study of native defects in TlBr: Carrier trapping, compensation, and polarization phemomenon

NASA Astrophysics Data System (ADS)

Du, Mao-Hua

2010-09-01

First-principles calculations are carried out to study the native defect properties in TlBr. Three important results emerge: (1) the native defects are benign in terms of electron trapping because the low-energy defects do not induce electron traps; (2) the dominant defects in nearly stoichiometric TlBr are Schottky defects that pin the Fermi level near the midgap, leading to high resistivity; and (3) the calculated low diffusion barriers for several native defects show that ionic conductivity can occur at room temperature. The important impacts of these material properties on the room-temperature radiation detection using TlBr are discussed.

Origin of reverse annealing in radiation-damaged silicon solar cells

NASA Technical Reports Server (NTRS)

Weinberg, I.; Swartz, C. K.

1980-01-01

The paper employs relative defect concentrations, energy levels, capture cross sections, and minority carrier diffusion lengths in order to identify the defect responsible for the reverse annealing observed in a radiation damaged n(+)/p silicon solar cell. It is reported that the responsible defect, with the energy level at +0.30 eV, has been tentatively identified as boron-oxygen-vacancy complex. In conclusion, it is shown that removal of this defect could result in significant cell recovery when annealing at temperatures well below the currently required 400 C.

Spatial Resolution Versus Data Acquisition Efficiency in Mapping an Inhomogeneous System with Species Diffusion

DOE PAGES

Chen, Fengxiang; Zhang, Yong; Gfroerer, T. H.; ...

2015-06-02

Traditionally, spatially-resolved photoluminescence (PL) has been performed using a point-by-point scan mode with both excitation and detection occurring at the same spatial location. But with the availability of high quality detector arrays like CCDs, an imaging mode has become popular for performing spatially-resolved PL. By illuminating the entire area of interest and collecting the data simultaneously from all spatial locations, the measurement efficiency can be greatly improved. However, this new approach has proceeded under the implicit assumption of comparable spatial resolution. We show here that when carrier diffusion is present, the spatial resolution can actually differ substantially between the twomore » modes, with the less efficient scan mode being far superior. We apply both techniques in investigation of defects in a GaAs epilayer – where isolated singlet and doublet dislocations can be identified. A superposition principle is developed for solving the diffusion equation to extract the intrinsic carrier diffusion length, which can be applied to a system with arbitrarily distributed defects. The understanding derived from this work is significant for a broad range of problems in physics and beyond (for instance biology) – whenever the dynamics of generation, diffusion, and annihilation of species can be probed with either measurement mode.« less

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN

NASA Astrophysics Data System (ADS)

Collins, K. C.; Armstrong, A. M.; Allerman, A. A.; Vizkelethy, G.; Van Deusen, S. B.; Léonard, F.; Talin, A. A.

2017-12-01

Inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4-6 × 1013 protons/cm2. We also characterize the specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%-55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (VGa-related), carbon impurities (C-related), and gallium interstitials (Gai). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ˜500 nm, which suggests mobile Gai. Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Gai.

Diffusion lengths of silicon solar cells from luminescence images

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wuerfel, P.; Trupke, T.; Puzzer, T.

A method for spatially resolved measurement of the minority carrier diffusion length in silicon wafers and in silicon solar cells is introduced. The method, which is based on measuring the ratio of two luminescence images taken with two different spectral filters, is applicable, in principle, to both photoluminescence and electroluminescence measurements and is demonstrated experimentally by electroluminescence measurements on a multicrystalline silicon solar cell. Good agreement is observed with the diffusion length distribution obtained from a spectrally resolved light beam induced current map. In contrast to the determination of diffusion lengths from one single luminescence image, the method proposed heremore » gives absolute values of the diffusion length and, in comparison, it is much less sensitive to lateral voltage variations across the cell area as caused by local variations of the series resistance. It is also shown that measuring the ratio of two luminescence images allows distinguishing shunts or surface defects from bulk defects.« less

Compact modeling of nanoscale triple-gate junctionless transistors covering drift-diffusion to quasi-ballistic carrier transport

NASA Astrophysics Data System (ADS)

Oproglidis, T. A.; Karatsori, T. A.; Barraud, S.; Ghibaudo, G.; Dimitriadis, C. A.

2018-04-01

In this work, we extend our analytical compact model for nanoscale junctionless triple-gate (JL TG) MOSFETs, capturing carrier transport from drift-diffusion to quasi-ballistic regime. This is based on a simple formulation of the low-field mobility extracted from experimental data using the Y-function method, taking into account the ballistic carrier motion and an increased carrier scattering in process-induced defects near the source/drain regions. The case of a Schottky junction in non-ideal ohmic contact at the drain side was also taken into account by modifying the threshold voltage and ideality factor of the JL transistor. The model is validated with experimental data for n-channel JL TG MOSFETs with channel length varying from 95 down to 25 nm. It can be easily implemented as a compact model for use in Spice circuit simulators.

Diffusive charge transport in graphene

NASA Astrophysics Data System (ADS)

Chen, Jianhao

The physical mechanisms limiting the mobility of graphene on SiO 2 are studied and printed graphene devices on a flexible substrate are realized. Intentional addition of charged scattering impurities is used to study the effects of charged impurities. Atomic-scale defects are created by noble-gas ions irradiation to study the effect of unitary scatterers. The results show that charged impurities and atomic-scale defects both lead to conductivity linear in density in graphene, with a scattering magnitude that agrees quantitatively with theoretical estimates. While charged impurities cause intravalley scattering and induce a small change in the minimum conductivity, defects in graphene scatter electrons between the valleys and suppress the minimum conductivity below the metallic limit. Temperature-dependent measurements show that longitudinal acoustic phonons in graphene produce a small resistivity which is linear in temperature and independent of carrier density; at higher temperatures, polar optical phonons of the SiO2 substrate give rise to an activated, carrier density-dependent resistivity. Graphene is also made into high mobility transparent and flexible field effect device via the transfer-printing method. Together the results paint a complete picture of charge carrier transport in graphene on SiO2 in the diffusive regime, and show the promise of graphene as a novel electronic material that have potential applications not only on conventional inorganic substrates, but also on flexible substrates.

The impact of defect scattering on the quasi-ballistic transport of nanoscale conductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Esqueda, I. S., E-mail: isanchez@isi.edu; Fritze, M.; Cress, C. D.

2015-02-28

Using the Landauer approach for carrier transport, we analyze the impact of defects induced by ion irradiation on the transport properties of nanoscale conductors that operate in the quasi-ballistic regime. Degradation of conductance results from a reduction of carrier mean free path due to the introduction of defects in the conducting channel. We incorporate scattering mechanisms from radiation-induced defects into calculations of the transmission coefficient and present a technique for extracting modeling parameters from near-equilibrium transport measurements. These parameters are used to describe degradation in the transport properties of nanoscale devices using a formalism that is valid under quasi-ballistic operation.more » The analysis includes the effects of bandstructure and dimensionality on the impact of defect scattering and discusses transport properties of nanoscale devices from the diffusive to the ballistic limit. We compare calculations with recently published measurements of irradiated nanoscale devices such as single-walled carbon nanotubes, graphene, and deep-submicron Si metal-oxide-semiconductor field-effect transistors.« less

Combining DFT, Cluster Expansions, and KMC to Model Point Defects in Alloys

NASA Astrophysics Data System (ADS)

Modine, N. A.; Wright, A. F.; Lee, S. R.; Foiles, S. M.; Battaile, C. C.; Thomas, J. C.; van der Ven, A.

In an alloy, defect energies are sensitive to the occupations of nearby atomic sites, which leads to a distribution of defect properties. When radiation-induced defects diffuse from their initially non-equilibrium locations, this distribution becomes time-dependent. The defects can become trapped in energetically favorable regions of the alloy leading to a diffusion rate that slows dramatically with time. Density Functional Theory (DFT) allows the accurate determination of ground state and transition state energies for a defect in a particular alloy environment but requires thousands of processing hours for each such calculation. Kinetic Monte-Carlo (KMC) can be used to model defect diffusion and the changing distribution of defect properties but requires energy evaluations for millions of local environments. We have used the Cluster Expansion (CE) formalism to ``glue'' together these seemingly incompatible methods. The occupation of each alloy site is represented by an Ising-like variable, and products of these variables are used to expand quantities of interest. Once a CE is fit to a training set of DFT energies, it allows very rapid evaluation of the energy for an arbitrary configuration, while maintaining the accuracy of the underlying DFT calculations. These energy evaluations are then used to drive our KMC simulations. We will demonstrate the application of our DFT/MC/KMC approach to model thermal and carrier-induced diffusion of intrinsic point defects in III-V alloys. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE.

Determination of carrier lifetime and diffusion length in Al-doped 4H-SiC epilayers by time-resolved optical techniques

NASA Astrophysics Data System (ADS)

Liaugaudas, Gediminas; Dargis, Donatas; Kwasnicki, Pawel; Arvinte, Roxana; Zielinski, Marcin; Jarašiūnas, Kęstutis

2015-01-01

A series of p-type 4H-SiC epilayers with aluminium concentration ranging from 2  ×  1016 to 8  ×  1019 cm-3 were investigated by time-resolved optical techniques in order to determine the effect of aluminium doping on high-injection carrier lifetime at room temperature and the diffusion coefficient at different injections (from ≈3  ×  1018 to ≈5  ×  1019 cm-3) and temperatures (from 78 to 730 K). We find that the defect limited carrier lifetime τSRH decreases from 20 ns in the low-doped samples down to ≈0.6 ns in the heavily doped epilayers. Accordingly, the ambipolar diffusion coefficient decreases from Da = 3.5 cm2 s-1 down to ≈0.6 cm2 s-1, corresponding to the hole mobility of µh = 70 cm2 Vs-1 and 12 cm2 Vs-1, respectively. In the highly doped epilayers, the injection-induced decrease of the diffusion coefficient, due to the transition from the minority carrier diffusion to the ambipolar diffusion, provided the electron diffusion coefficient of De ≈ 3 cm2 s-1. The Al-doping resulted in the gradual decrease of the ambipolar diffusion length, from LD = 2.7 µm down to LD = 0.25 µm in the epilayers with the lowest and highest aluminium concentrations.

Spatial Variation in Mobility-Lifetime Product in Bulk TlBr and CZT

NASA Astrophysics Data System (ADS)

Phillips, David; Haegel, Nancy; Blaine, Kevin; Kim, Hadong; Ciampi, Guido; Cirignano, Len

2012-02-01

The energy resolution of a semiconductor radiation detector depends on the charge transport properties of the semiconductor, and the mobility-lifetime (μτ) product is a key figure of merit for charge transport. In this work, we investigate the effects of two impurities, Na and Cu, on the μτ product in bulk thallium bromide (TlBr) using cathodoluminescence (CL) and transport imaging. Transport imaging uses a scanning electron microscope to generate a line of charge carriers on the surface of a bulk sample, and the intensity and spatial distribution of the recombination luminescence are recorded. A Green's function approach is used to model the generation, diffusion, and recombination of charge carriers under steady-state conditions. The luminescence distribution is fit to the model to extract the ambipolar diffusion length and the μτ product, providing a high-resolution correlation between the luminescence variations due to dopants/defects and the quantitative transport behavior. The μτ product has been mapped across a 40 μm segment of TlBr at a resolution of 2 μm. Additionally, this approach has been used to locally map variations in ambipolar diffusion length and μτ product due to extended defects in cadmium zinc telluride (CZT).

Comparison of diffusion length measurements from the Flying Spot Technique and the photocarrier grating method in amorphous thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vieira, M.; Fantoni, A.; Martins, R.

1994-12-31

Using the Flying Spot Technique (FST) the authors have studied minority carrier transport parallel and perpendicular to the surface of amorphous silicon films (a-Si:H). To reduce slow transients due to charge redistribution in low resistivity regions during the measurement they have applied a strong homogeneously absorbed bias light. The defect density was estimated from Constant Photocurrent Method (CPM) measurements. The steady-state photocarrier grating technique (SSPG) is a 1-dimensional approach. However, the modulation depth of the carrier profile is also dependent on film surface properties, like surface recombination velocity. Both methods yield comparable diffusion lengths when applied to a-Si:H.

Effect of 1.5 MeV electron irradiation on β-Ga2O3 carrier lifetime and diffusion length

NASA Astrophysics Data System (ADS)

Lee, Jonathan; Flitsiyan, Elena; Chernyak, Leonid; Yang, Jiancheng; Ren, Fan; Pearton, Stephen J.; Meyler, Boris; Salzman, Y. Joseph

2018-02-01

The influence of 1.5 MeV electron irradiation on minority transport properties of Si doped β-Ga2O3 vertical Schottky rectifiers was observed for fluences up to 1.43 × 1016 cm-2. The Electron Beam-Induced Current technique was used to determine the minority hole diffusion length as a function of temperature for each irradiation dose. This revealed activation energies related to shallow donors at 40.9 meV and radiation-induced defects with energies at 18.1 and 13.6 meV. Time-resolved cathodoluminescence measurements showed an ultrafast 210 ps decay lifetime and reduction in carrier lifetime with increased irradiation.

Colloidal thallium halide nanocrystals with reasonable luminescence, carrier mobility and diffusion length.

PubMed

Mir, Wasim J; Warankar, Avinash; Acharya, Ashutosh; Das, Shyamashis; Mandal, Pankaj; Nag, Angshuman

2017-06-01

Colloidal lead halide based perovskite nanocrystals (NCs) have been recently established as an interesting class of defect-tolerant NCs with potential for superior optoelectronic applications. The electronic band structure of thallium halides (TlX, where X = Br and I) show a strong resemblance to lead halide perovskites, where both Pb 2+ and Tl + exhibit a 6s 2 inert pair of electrons and strong spin-orbit coupling. Although the crystal structure of TlX is not perovskite, the similarities of its electronic structure with lead halide perovskites motivated us to prepare colloidal TlX NCs. These TlX NCs exhibit a wide bandgap (>2.5 eV or <500 nm) and the potential to exhibit a reduced density of deep defect states. Optical pump terahertz (THz) probe spectroscopy with excitation fluence in the range of 0.85-5.86 × 10 13 photons per cm 2 on NC films shows that the TlBr NCs possess high effective carrier mobility (∼220 to 329 cm 2 V -1 s -1 ), long diffusion length (∼0.77 to 0.98 μm), and reasonably high photoluminescence efficiency (∼10%). This combination of properties is remarkable compared to other wide-bandgap (>2.5 eV) semiconductor NCs, which suggests a reduction in the deep-defect states in the TlX NCs. Furthermore, the ultrafast carrier dynamics and temperature-dependent reversible structural phase transition together with its influence on the optical properties of the TlX NCs are studied.

Method for making defect-free zone by laser-annealing of doped silicon

DOEpatents

Narayan, Jagdish; White, Clark W.; Young, Rosa T.

1980-01-01

This invention is a method for improving the electrical properties of silicon semiconductor material. The method comprises irradiating a selected surface layer of the semiconductor material with high-power laser pulses characterized by a special combination of wavelength, energy level, and duration. The combination effects melting of the layer without degrading electrical properties, such as minority-carrier diffusion length. The method is applicable to improving the electrical properties of n- and p-type silicon which is to be doped to form an electrical junction therein. Another important application of the method is the virtually complete removal of doping-induced defects from ion-implanted or diffusion-doped silicon substrates.

Exceptional gettering response of epitaxially grown kerfless silicon

DOE PAGES

Powell, D. M.; Markevich, V. P.; Hofstetter, J.; ...

2016-02-08

The bulk minority-carrier lifetime in p- and n-type kerfless epitaxial (epi) crystalline silicon wafers is shown to increase >500 during phosphorus gettering. We employ kinetic defect simulations and microstructural characterization techniques to elucidate the root cause of this exceptional gettering response. Simulations and deep-level transient spectroscopy (DLTS) indicate that a high concentra- tion of point defects (likely Pt) is “locked in” during fast (60 C/min) cooling during epi wafer growth. The fine dispersion of moderately fast-diffusing recombination-active point defects limits as-grown lifetime but can also be removed during gettering, confirmed by DLTS measurements. Synchrotron-based X-ray fluorescence microscopy indicates metal agglomeratesmore » at structural defects, yet the structural defect density is sufficiently low to enable high lifetimes. Consequently, after phosphorus diffusion gettering, epi silicon exhibits a higher lifetime than materials with similar bulk impurity contents but higher densities of structural defects, including multicrystalline ingot and ribbon silicon materials. As a result, device simulations suggest a solar-cell efficiency potential of this material >23%.« less

Heat treatment of bulk gallium arsenide using a phosphosilicate glass cap

NASA Technical Reports Server (NTRS)

Mathur, G.; Wheaton, M. L.; Borrego, J. M.; Ghandhi, S. K.

1985-01-01

n-type bulk GaAs crystals, capped with chemically vapor-deposited phosphosilicate glass, were heat treated at temperatures in the range of 600 to 950 C. Measurements on Schottky diodes and solar cells fabricated on the heat-treated material, after removal of a damaged surface layer, show an increase in free-carrier concentration, in minority-carrier-diffusion length, and in solar-cell short-circuit current. The observed changes are attributed to a removal of lifetime-reducing acceptorlike impurities, defects, or their complexes.

Extracting dielectric fixed charge density on highly doped crystalline-silicon surfaces using photoconductance measurements

NASA Astrophysics Data System (ADS)

To, A.; Hoex, B.

2017-11-01

A novel method for the extraction of fixed interface charge, Qf, and the surface recombination parameters, Sn0 and Sp0, from the injection-level dependent effective minority carrier lifetime measurements is presented. Unlike conventional capacitance-voltage measurements, this technique can be applied to highly doped surfaces provided the surface carrier concentration transitions into strong depletion or inversion with increased carrier injection. By simulating the injection level dependent Auger-corrected inverse lifetime curve of symmetrically passivated and diffused samples after sequential annealing and corona charging, it was revealed that Qf, Sn0, and Sp0 have unique signatures. Therefore, these important electronic parameters, in some instances, can independently be resolved. Furthermore, it was shown that this non-linear lifetime behaviour is exhibited on both p-type and n-type diffused inverted surfaces, by demonstrating the approach with phosphorous diffused n+pn+ structures and boron diffused p+np+ structures passivated with aluminium oxide (AlOx) and silicon nitride, respectively (SiNx). The results show that the approximation of a mid-gap Shockley-Read-Hall defect level with equal capture cross sections is able to, in the samples studied in this work, reproduce the observed injection level dependent lifetime behaviour.

Atomistic Modeling of Cation Diffusion in Transition Metal Perovskites La1-xSrxMnO3+/-δfor Solid Oxide Fuel Cell Cathodes Applications

NASA Astrophysics Data System (ADS)

Lee, Yueh-Lin; Duan, Yuhua; Morgan, Dane; Sorescu, Dan; Abernathy, Harry

Cation diffusion in La1-xSrxMnO3+/-δ (LSM) and in related perovskite materials play an important role in controlling long term performance and stability of solid oxide fuel cell (SOFCs) cathodes. Due to sluggish rates of cation diffusion and complex coupling between defect chemistry and cation diffusion pathways, currently there is still lack of quantitative theoretical model predictions on cation diffusivity vs. T and P(O2) to describe experimental cation tracer diffusivities. In this work, based on ab initio modeling of LSM defect chemistry and migration barriers of the possible cation diffusion pathways, we assess the rates of A-site and B-site cation diffusion in a wide range of T and P(O2) at x =0.0 and 0.2 for SOFC applications. We demonstrate the active cation diffusion pathways in LSM involve cation defect clusters as cation transport carriers, where reduction in the cation migration barriers, which are governed by the steric effect associated with the metal-oxygen cage in the perovskite lattice, is much greater than the penalty of repulsive interaction in the A-site and B-site cation vacancy clusters, leading to higher cation diffusion rates as compared to those of single cation vacancy hopping mechanisms. The predicted Mn and La/Sr cation self-diffusion coefficients of LSM at at x =0.0 and 0.2 along with their 1/T and P(O2) dependences, are in good agreement with the experimental tracer diffusion coefficients.

Phonon Scattering in Silicon by Multiple Morphological Defects: A Multiscale Analysis

NASA Astrophysics Data System (ADS)

Lorenzi, Bruno; Dettori, Riccardo; Dunham, Marc T.; Melis, Claudio; Tonini, Rita; Colombo, Luciano; Sood, Aditya; Goodson, Kenneth E.; Narducci, Dario

2018-05-01

Ideal thermoelectric materials should possess low thermal conductivity κ along with high electrical conductivity σ . Thus, strategies are needed to impede the propagation of phonons mostly responsible for thermal conduction while only marginally affecting charge carrier diffusion. Defect engineering may provide tools to fulfill this aim, provided that one can achieve an adequate understanding of the role played by multiple morphological defects in scattering thermal energy carriers. In this paper, we study how various morphological defects such as grain boundaries and dispersed nanovoids reduce the thermal conductivity of silicon. A blended approach has been adopted, using data from both simulations and experiments in order to cover a wide range of defect densities. We show that the co-presence of morphological defects with different characteristic scattering length scales is effective in reducing the thermal conductivity. We also point out that non-gray models (i.e. models with spectral resolution) are required to improve the accuracy of predictive models explaining the dependence of κ on the density of morphological defects. Finally, the application of spectral models to Matthiessen's rule is critically addressed with the aim of arriving at a compact model of phonon scattering in highly defective materials showing that non-local descriptors would be needed to account for lattice distortion due to nanometric voids.

Defects and annealing studies in 1-Me electron irradiated (AlGa)As-GaAs solar cells

NASA Technical Reports Server (NTRS)

Li, S. S.; Wang, W. L.; Loo, R. Y.; Rahilly, W. P.

1982-01-01

The deep-level defects and recombination mechanisms in the one-MeV electron irradiated (AlGa)As-GaAs solar cells under various irradiation and annealing conditions are discussed. Deep-level transient spectroscopy (DLTS) and capacitance-voltage (CV) techniques were used to determine the defect and recombination parameters such as energy levels and defect density, carrier capture cross sections and lifetimes for both electron and hole traps as well as hole diffusion lengths in these electron irradiated GaAs solar cells. GaAs solar cells used in this study were prepared by the infinite solution melt liquid phase epitaxial (LPE) technique at Hughes Research Lab., with (Al0.9Ga0.1)-As window layer, Be-diffused p-GaAs layer on Sn-doped n-GaAs or undoped n-GaAs active layer grown on n(+)-GaAs substrate. Mesa structure with area of 5.86x1000 sq cm was fabricated. Three different irradiation and annealing experiments were performed on these solar cells.

Low-voltage cross-sectional EBIC for characterisation of GaN-based light emitting devices.

PubMed

Moldovan, Grigore; Kazemian, Payam; Edwards, Paul R; Ong, Vincent K S; Kurniawan, Oka; Humphreys, Colin J

2007-01-01

Electron beam induced current (EBIC) characterisation can provide detailed information on the influence of crystalline defects on the diffusion and recombination of minority carriers in semiconductors. New developments are required for GaN light emitting devices, which need a cross-sectional approach to provide access to their complex multi-layered structures. A sample preparation approach based on low-voltage Ar ion milling is proposed here and shown to produce a flat cross-section with very limited surface recombination, which enables low-voltage high resolution EBIC characterisation. Dark defects are observed in EBIC images and correlation with cathodoluminescence images identify them as threading dislocations. Emphasis is placed on one-dimensional quantification which is used to show that junction delineation with very good spatial resolution can be achieved, revealing significant roughening of this GaN p-n junction. Furthermore, longer minority carrier diffusion lengths along the c-axis are found at dislocation sites, in both p-GaN and the multi-quantum well (MQW) region. This is attributed to gettering of point defects at threading dislocations in p-GaN and higher escape rate from quantum wells at dislocation sites in the MQW region, respectively. These developments show considerable promise for the use of low-voltage cross-sectional EBIC in the characterisation of point and extended defects in GaN-based devices and it is suggested that this technique will be particularly useful for degradation analysis.

Near-field transport imaging applied to photovoltaic materials

DOE PAGES

Xiao, Chuanxiao; Jiang, Chun -Sheng; Moseley, John; ...

2017-05-26

We developed and applied a new analytical technique - near-field transport imaging (NF-TI or simply TI) - to photovoltaic materials. Charge-carrier transport is an important factor in solar cell performance, and TI is an innovative approach that integrates a scanning electron microscope with a near-field scanning optical microscope, providing the possibility to study luminescence associated with recombination and transport with high spatial resolution. In this paper, we describe in detail the technical barriers we had to overcome to develop the technique for routine application and the data-fitting procedure used to calculate minority-carrier diffusion length values. The diffusion length measured bymore » TI agrees well with the results calculated by time-resolved photoluminescence on well-controlled gallium arsenide (GaAs) thin-film samples. We report for the first time on measurements on thin-film cadmium telluride using this technique, including the determination of effective carrier diffusion length, as well as the first near-field imaging of the effect of a single localized defect on carrier transport and recombination in a GaAs heterostructure. Furthermore, by changing the scanning setup, we were able to demonstrate near-field cathodoluminescence (CL), and correlated the results with standard CL measurements. In conclusion, the TI technique shows great potential for mapping transport properties in solar cell materials with high spatial resolution.« less

Review on first-principles study of defect properties of CdTe as a solar cell absorber

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang

2016-07-15

CdTe is one of the leading materials for high-efficiency, low-cost, and thin-film solar cells. In this work, we review the recent first-principles study of defect properties of CdTe and present that: (1) When only intrinsic defects are present, p-type doping in CdTe is weak and the hole density is low due to the relatively deep acceptor levels of Cd vacancy. (2) When only intrinsic defects present, the dominant non-radiative recombination center in p-type CdTe is Te-2+/Cd, which limits the carrier lifetime to be around 200 ns. (3) Extrinsic p-type doping in CdTe by replacing Te with group V elements generallymore » will be limited by the formation of AX centers. This could be overcome through a non-equilibrium cooling process and the hole density can achieve 10^17 cm-3. However, the long-term stability will be a challenging issue. (4) Extrinsic p-type doping by replacing Cd with alkaline group I elements is limited by alkaline interstitials and a non-equilibrium cooling process can efficiently enhance the hole density to the order of 10^17 cm-3. (5) Cu and Cl treatments are discussed. In bulk CdTe, Cu can enhance p-type doping, but Cl is found to be unsuitable for this. Both Cu and Cl show segregation at grain boundaries, especially at those with Te-Te wrong bonds. (6) External impurities are usually incorporated by diffusion. Therefore, the diffusion processes in CdTe are investigated. We find that cation interstitial (Nai, Cui) diffusion follows relatively simple diffusion paths, but anion diffusion (Cli, Pi) follows more complicated paths due to the degenerated defect wavefunctions.« less

Correlation of doping, structure, and carrier dynamics in a single GaN nanorod

NASA Astrophysics Data System (ADS)

Zhou, Xiang; Lu, Ming-Yen; Lu, Yu-Jung; Gwo, Shangjr; Gradečak, Silvija

2013-06-01

We report the nanoscale optical investigation of a single GaN p-n junction nanorod by cathodoluminescence (CL) in a scanning transmission electron microscope. CL emission characteristic of dopant-related transitions was correlated to doping and structural defect in the nanorod, and used to determine p-n junction position and minority carrier diffusion lengths of 650 nm and 165 nm for electrons and holes, respectively. Temperature-dependent CL study reveals an activation energy of 19 meV for non-radiative recombination in Mg-doped GaN nanorods. These results directly correlate doping, structure, carrier dynamics, and optical properties of GaN nanostructure, and provide insights for device design and fabrication.

Deep-level transient spectroscopy studies of Ni- and Zn-diffused vapor-phase-epitaxy n-GaAs

NASA Technical Reports Server (NTRS)

Partin, D. L.; Chen, J. W.; Milnes, A. G.; Vassamillet, L. F.

1979-01-01

The paper presents deep-level transient spectroscopy studies of Ni- and Zn-diffused vapor-phase epitaxy n-GaAs. Nickel diffused into VPE n-GaAs reduces the hole diffusion length L sub p from 4.3 to 1.1 microns. Deep-level transient spectroscopy was used to identify energy levels in Ni-diffused GaAs; the as-grown VPE GaAs contains traces of these levels and an electron trap. Ni diffusion reduces the concentration of this level by an amount that matches the increase in concentration of each of the two Ni-related levels. A technique for measuring minority-carrier capture cross sections was developed, which indicates that L sub p in Ni-diffused VPE n-GaAs is controlled by the E sub c - 0.39 eV defect level.

High rectifying behavior in Al/Si nanocrystal-embedded SiOxNy/p-Si heterojunctions

NASA Astrophysics Data System (ADS)

Jacques, E.; Pichon, L.; Debieu, O.; Gourbilleau, F.; Coulon, N.

2011-05-01

We examine the electrical properties of MIS devices made of Al/Si nanocrystal-SiOxNy/p-Si. The J-V characteristics of the devices present a high rectifying behavior. Temperature measurements show that the forward current is thermally activated following the thermal diffusion model of carriers. At low reverse bias, the current is governed by thermal emission amplified by the Poole-Frenkel effect of carriers from defects located at the silicon nanocrystals/SiOxNy interfaces, whereas tunnel conduction in silicon oxynitride matrix dominates at high reverse bias. The devices exhibit a rectification ratio >104 for the current measured at V = ± 1 V. Study reveals that thermal annealing in forming gas (H2/N2) improves the electrical properties of the devices due to the passivation of defects.

I. Excitonic Phase Diagram in Silicon: Evidence for Two Condensed Phases. I. Motion of Photoexcited Carriers in GALLIUM-ARSENIDE/ALUMINUM(X)GALLIUM(1-X)ARSENIDE Multiple Quantum Wells-Anomalous Confinement at High Densities.

NASA Astrophysics Data System (ADS)

Smith, Leigh Morris

This thesis describes work on the thermodynamics and transport properties of photoexcited carriers in bulk and two-dimensional semiconductors. Two major topics are addressed. I. Photoluminescence experiments of excitons in unstressed silicon are presented which indicate the existence of a new non-degenerate condensed phase of plasma. This new liquid has a density one-tenth that of the ground state electron-hole liquid and is observed both above and below the liquid-gas critical point (~24.5K). A new phase diagram of excitons in silicon is presented which includes these two condensed plasmas. Consistent with the Gibbs phase rule, a triple point at 18.5 K is inferred from the luminescence data as the only temperature where the exciton gas, condensed plasma (CP) and electron-hole liquid (EHL) coexist. The low density condensed plasma persists up to a second critical point at 45 +/- 5K, above which the photoexcited carriers are observed to continuously decay into a partially ionized excitonic gas. II. We have measured the in-plane motion of photoexcited carriers in semiconductor quantum wells with 5 μm spatial and 10 ps temporal resolution and have discovered several surprising results. The effective diffusivity of the carriers at densities below n = 2 times 10^{11}cm ^{-2} is found to depend upon excitation level, possibly indicating defect-limited diffusion or phonon-wind effects. Above this density the spatial profiles exhibit two distinct components with widely differing diffusivities. This remarkable behavior may be understood with consideration of the interactions of non-equilibrium phonons with the photoexcited carriers. We postulate that the slowly diffusing component represents carriers which are "thermally confined" to a phonon hot spot, while the rapidly moving component is driven by the flux of non-equilibrium phonons away from the excitation region.

Chemical instability leads to unusual chemical-potential-independent defect formation and diffusion in perovskite solar cell material CH 3 NH 3 PbI 3

DOE PAGES

Ming, Wenmei; Chen, Shiyou; East China Normal Univ.; ...

2016-10-13

Methylammonium (MA) lead triiodide (MAPbI 3) has recently emerged as a promising solar cell material. But, MAPbI3 is known to have chemical instability, i.e., MAPbI3 is prone to decomposition into MAI and PbI 2 even at moderate temperatures (e.g. 330 K). Here, we show that the chemical instability, as reflected by the calculated negligible enthalpy of formation of MAPbI 3 (with respect to MAI and PbI 2), has an unusual and important consequence for defect properties, i.e., defect formation energies in low-carrier-density MAPbI 3 are nearly independent of the chemical potentials of constituent elements and thus can be uniquely determined. This allows straightforward calculations of defect concentrations and the activation energy of ionic conductivity (the sum of the formation energy and the diffusion barrier of the charged mobile defect) in MAPbI 3. Furthermore, the calculated activation energy for ionic conductivity due to Vmore » $$+\\atop{1}$$ diffusion is in excellent agreement with the experimental values, which demonstrates unambiguously that V$$+\\atop{1}$$ is the dominant diffusing defect and is responsible for the observed ion migration and device polarization in MAPbI3 solar cells. The calculated low formation energy of a Frenkel pair (V$$+\\atop{1}$$ -I$$-\\atop{i}$$ and low diffusion barriers of V$$+\\atop{1}$$ and Image I$$-\\atop{i}$$ suggest that the iodine ion migration and the resulting device polarization may occur even in single-crystal devices and grain-boundary-passivated polycrystalline thin film devices (which were previously suggested to be free from ion-migration-induced device polarization), leading to device degradation. Moreover, the device polarization due to the Frenkel pair (which has a relatively low concentration) may take a long time to develop and thus may avoid the appearance of the current–voltage hysteresis at typical scan rates.« less

Male prevalence of acquired color vision defects in asymptomatic carriers of Leber's hereditary optic neuropathy.

PubMed

Ventura, Dora Fix; Gualtieri, Mirella; Oliveira, André G F; Costa, Marcelo F; Quiros, Peter; Sadun, Federico; de Negri, Anna Maria; Salomão, Solange R; Berezovsky, Adriana; Sherman, Jerome; Sadun, Alfredo A; Carelli, Valerio

2007-05-01

Leber's hereditary optic neuropathy (LHON) is a maternally inherited disease resulting in loss of central vision and dyschromatopsia, caused by mitochondrial DNA point mutations. However, only a subset of the mutation carriers becomes affected, with a higher penetrance in males. This study was conducted to investigate chromatic losses in asymptomatic carriers of the LHON mutation. Monocular chromatic discrimination was studied with the Cambridge Colour Test (CCT; Cambridge Research Systems, Ltd., Rochester, UK) along the protan, deutan, and tritan cone isolation axes in 46 LHON carriers (15 men) belonging to the same LHON maternal lineage and 74 age-matched control subjects (39 men). Inclusion criteria were absence of ophthalmic complaints and clear ocular media. A detailed neuro-ophthalmic examination was performed in all the LHON carriers. The differences in threshold between carriers and control subjects were significant for the three cone isolation axes at P < 0.0001. Sixty-five percent of the carriers had abnormal protan and/or deutan thresholds; some of those with higher thresholds also had elevated tritan thresholds (13%). The male thresholds were higher and more frequent than those of the women for the protan and deutan axes (ANOVA; P < 0.05), but not for tritan thresholds. In the most severe losses, the women had instances of diffuse defect whereas all the men displayed a red-green defect. Male LHON asymptomatic carriers had color vision losses with the red-green pattern of dyschromatopsia typical of patients affected with LHON, which includes elevation of tritan thresholds as well. This predominantly parvocellular (red-green) impairment is compatible with the histopathology of LHON, which affects mostly the papillomacular bundle. In contrast with male losses, female losses were less frequent and severe. These gender differences are relevant to understanding LHON pathophysiology, suggesting that hormonal factors may be of great importance.

Electrochemical characterization of p(+)n and n(+)p diffused InP structures

NASA Technical Reports Server (NTRS)

Wilt, David M.; Faur, Maria; Faur, Mircea; Goradia, M.; Vargas-Aburto, Carlos

1993-01-01

The relatively well documented and widely used electrolytes for characterization and processing of Si and GaAs-related materials and structures by electrochemical methods are of little or no use with InP because the electrolytes presently used either dissolve the surface preferentially at the defect areas or form residual oxides and introduce a large density of surface states. Using an electrolyte which was newly developed for anodic dissolution of InP, and was named the 'FAP' electrolyte, accurate characterization of InP related structures including nature and density of surface states, defect density, and net majority carrier concentration, all as functions of depth was performed. A step-by-step optimization of n(+)p and p(+)n InP structures made by thermal diffusion was done using the electrochemical techniques, and resulted in high performance homojunction InP structures.

Influences of point defects on electrical and optical properties of InGaN light-emitting diodes at cryogenic temperature

NASA Astrophysics Data System (ADS)

Tu, Yi; Ruan, Yujiao; Zhu, Lihong; Tu, Qingzhen; Wang, Hongwei; Chen, Jie; Lu, Yijun; Gao, Yulin; Shih, Tien-Mo; Chen, Zhong; Lin, Yue

2018-04-01

We investigate the cryogenic external quantum efficiency (EQE) for some InGaN light-emitting diodes with different indium contents. We observe a monotonic decrease in EQE with the increasing forward current before the "U-turn" point, beyond which the thermal effect increases the EQE. We discover positive dependences among the droop rate (χ), differential electrical resistance (Rd), and indium content. Also, χ and Rd of individual green samples shift correspondingly during the aging test, when the Mg ions are activated at high injection density and diffuse into the active region. Considering the fact that both In and Mg ions would introduce point defects (PDs), we proposed a model that reveals the mechanism of interplay between PDs and carriers. PDs serve as both energy traps and non-radiative recombination centers. They attract and confine carriers, leading to an increase in Rd and a decrease in EQE.

Recent Progress in Single‐Crystalline Perovskite Research Including Crystal Preparation, Property Evaluation, and Applications

PubMed Central

Liu, Yucheng

2017-01-01

Abstract Organic–inorganic lead halide perovskites are promising optoelectronic materials resulting from their significant light absorption properties and unique long carrier dynamics, such as a long carrier lifetime, carrier diffusion length, and high carrier mobility. These advantageous properties have allowed for the utilization of lead halide perovskite materials in solar cells, LEDs, photodetectors, lasers, etc. To further explore their potential, intrinsic properties should be thoroughly investigated. Single crystals with few defects are the best candidates to disclose a variety of interesting and important properties of these materials, ultimately, showing the increased importance of single‐crystalline perovskite research. In this review, recent progress on the crystallization, investigation, and primary device applications of single‐crystalline perovskites are summarized and analyzed. Further improvements in device design and preparation are also discussed. PMID:29375973

Study of defects in TlBr, InI as potential semiconductor radiation detectors

NASA Astrophysics Data System (ADS)

Biswas, Koushik; Du, Mao-Hua

2011-03-01

Group III-halides such as TlBr and InI are receiving considerable attention for application in room temperature radiation detector devices. It is however, essential that these detector materials have favorable defect properties which enable good carrier transport when operating under an external bias voltage. We have studied the properties of native defects of InI and Tlbr and several important results emerge: (1) Schottky defects are the dominant low-energy defects in both materials that can potentially pin the Fermi level close to midgap, leading to high resistivity; (2) native defects in TlBr are benign in terms of electron trapping. However, anion-vacancy in InI induces a deep electron trap similar to the F -centers in alkali halides. This can reduce electron mobility-lifetime product in InI; (3) low diffusion barriers of vacancies and ionic conductivity could be responsible for the observed polarization phenomenon in both materials at room temperature. U.S. DOE Office of Nonproliferation Research and Development NA22.

Electronic properties of deep-level defects in proton irradiated AlGaAs-GaAs solar cells

NASA Technical Reports Server (NTRS)

Li, S. S.

1981-01-01

Deep level transient spectroscopy and capacitance voltage techniques as well as analysis of the forward current voltage (I-V) characteristics and SEM-EIC data were carried out for proton irradiated GaAs solar cells over a wide range of proton energies and proton fluences. Defect and recombination parameters such as defect energy levels and density, carrier capture cross sections and lifetimes as well as diffusion lengths in the undoped n-GaAs LPE layers were determined. Good correlation between these defect parameters and solar cell performance parameters was obtained for GaAs solar cells irradiated by 200 and 290 KeV protons. It was found that 200 to 290 KeV protons will produce the most defects and damages to the GaAs solar cell structure used. The influence of the low temperature (200 to 400 C) periodic thermal annealing on the deep level defects and the performance of the 200 KeV proton irradiated cells is discussed.

Minimizing performance degradation induced by interfacial recombination in perovskite solar cells through tailoring of the transport layer electronic properties

NASA Astrophysics Data System (ADS)

Xu, Liang; Molaei Imenabadi, Rouzbeh; Vandenberghe, William G.; Hsu, Julia W. P.

2018-03-01

The performance of hybrid organic-inorganic metal halide perovskite solar cells is investigated using one-dimensional drift-diffusion device simulations. We study the effects of interfacial defect density, doping concentration, and electronic level positions of the charge transport layer (CTL). Choosing CTLs with a favorable band alignment, rather than passivating CTL-perovskite interfacial defects, is shown to be beneficial for maintaining high power-conversion efficiency, due to reduced minority carrier density arising from a favorable local electric field profile. Insights from this study provide theoretical guidance on practical selection of CTL materials for achieving high-performance perovskite solar cells.

Theoretical study of superionic phase transition in Li2S.

PubMed

Jand, Sara Panahian; Zhang, Qian; Kaghazchi, Payam

2017-07-19

We have studied temperature-induced superionic phase transition in Li 2 S, which is one of the most promising Li-S battery cathode material. Concentration of ionic carriers at low and high temperature was evaluated from thermodynamics of defects (using density functional theory) and detailed balance condition (using ab initio molecular dynamics (AIMD)), respectively. Diffusion coefficients were also obtained using AIMD simulations. Calculated ionic conductivity shows that superionic phase transition occurs at T = 900 K, which is in agreement with reported experimental values. The superionic behavior of Li 2 S is found to be due to thermodynamic reason (i.e. a large concentration of disordered defects).

Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

DOE PAGES

Auden, E. C.; Vizkelethy, G.; Serkland, D. K.; ...

2017-03-24

Here, the Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al 0.3Ga 0.7As/GaAs/Al 0.25Ga 0.75As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation asmore » photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.« less

Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

NASA Astrophysics Data System (ADS)

Auden, E. C.; Vizkelethy, G.; Serkland, D. K.; Bossert, D. J.; Doyle, B. L.

2017-05-01

The Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al0.3Ga0.7As/GaAs/Al0.25Ga0.75As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation as photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.

Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Auden, E. C.; Vizkelethy, G.; Serkland, D. K.

Here, the Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al 0.3Ga 0.7As/GaAs/Al 0.25Ga 0.75As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation asmore » photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.« less

Density Functional Theory Calculations of Activation Energies for Non-radiative Carrier Capture by Deep Defect Levels in Semiconductors.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Modine, Normand Arthur; Wright, Alan F.; Lee, Stephen R.

Carrier recombination due to defects can have a major impact on device performance. The rate of defect-induced carrier recombination is determined by both defect levels and carrier capture cross-sections. Kohn-Sham density functional theory (DFT) has been widely and successfully used to predict defect levels in semiconductors and insulators, but only recently has work begun to focus on using DFT to determine carrier capture cross-sections. Lang and Henry worked out the fundamental theory of carrier-capture cross-sections in the 1970s and showed that, in most cases, room temperature carrier-capture cross-sections differ between defects primarily due to differences in the carrier capture activationmore » energies. Here, we present an approach to using DFT to calculate carrier capture activation energies that does not depend on perturbation theory or an assumed configuration coordinate, and we demonstrate this approach for the -3/-2 level of the Ga vacancy in wurtzite GaN.« less

Colloidal thallium halide nanocrystals with reasonable luminescence, carrier mobility and diffusion length† †Electronic supplementary information (ESI) available: Synthesis and additional characterization of nanocrystals, characterization of nanocrystal films, temperature-dependent phase transition, coefficient of volume expansion, PL decay dynamics, tabulated best fit parameters, and methodology analysis of ultrafast optical pump THz probe (OPTP) spectroscopy. See DOI: 10.1039/c7sc01219e Click here for additional data file.

PubMed Central

Mir, Wasim J.; Warankar, Avinash; Acharya, Ashutosh; Das, Shyamashis

2017-01-01

Colloidal lead halide based perovskite nanocrystals (NCs) have been recently established as an interesting class of defect-tolerant NCs with potential for superior optoelectronic applications. The electronic band structure of thallium halides (TlX, where X = Br and I) show a strong resemblance to lead halide perovskites, where both Pb2+ and Tl+ exhibit a 6s2 inert pair of electrons and strong spin–orbit coupling. Although the crystal structure of TlX is not perovskite, the similarities of its electronic structure with lead halide perovskites motivated us to prepare colloidal TlX NCs. These TlX NCs exhibit a wide bandgap (>2.5 eV or <500 nm) and the potential to exhibit a reduced density of deep defect states. Optical pump terahertz (THz) probe spectroscopy with excitation fluence in the range of 0.85–5.86 × 1013 photons per cm2 on NC films shows that the TlBr NCs possess high effective carrier mobility (∼220 to 329 cm2 V–1 s–1), long diffusion length (∼0.77 to 0.98 μm), and reasonably high photoluminescence efficiency (∼10%). This combination of properties is remarkable compared to other wide-bandgap (>2.5 eV) semiconductor NCs, which suggests a reduction in the deep-defect states in the TlX NCs. Furthermore, the ultrafast carrier dynamics and temperature-dependent reversible structural phase transition together with its influence on the optical properties of the TlX NCs are studied. PMID:28970882

Intensity- and temperature- dependent carrier recombination in InAs/In(As 1-xSb x) type-II superlattices

DOE PAGES

Olson, Benjamin Varberg; Kadlec, Emil Andrew; Kim, Jin K.; ...

2015-04-17

Our time-resolved measurements for carrier recombination are reported as a midwave infrared InAs/InAs 0.66Sb 0.34 type-II superlattice (T2SL) function of pump intensity and sample temperature. By including the T2SL doping level in the analysis, the Shockley-Read-Hall (SRH), radiative, and Auger recombination components of the carrier lifetime are uniquely distinguished at each temperature. SRH is the limiting recombination mechanism for excess carrier densities less than the doping level (the low-injection regime) and temperatures less than 175 K. A SRH defect energy of 95 meV, either below the T2SL conduction-band edge or above the T2SL valence-band edge, is identified. Auger recombination limitsmore » the carrier lifetimes for excess carrier densities greater than the doping level (the high-injection regime) for all temperatures tested. Additionally, at temperatures greater than 225 K, Auger recombination also limits the low-injection carrier lifetime due to the onset of the intrinsic temperature range and large intrinsic carrier densities. Radiative recombination is found to not have a significant contribution to the total lifetime for all temperatures and injection regimes, with the data implying a photon recycling factor of 15. Using the measured lifetime data, diffusion currents are calculated and compared to calculated Hg 1-xCd xTe dark current, indicating that the T2SL can have a lower dark current with mitigation of the SRH defect states. Our results illustrate the potential for InAs/InAs 1-xSb x T2SLs as absorbers in infrared photodetectors.« less

Suppress carrier recombination by introducing defects. The case of Si solar cell

DOE PAGES

Liu, Yuanyue; Stradins, Paul; Deng, Huixiong; ...

2016-01-11

Deep level defects are usually harmful to solar cells. Here we show that incorporation of selected deep level defects in the carrier-collecting region, however, can be utilized to improve the efficiency of optoelectronic devices. The designed defects can help the transport of the majority carriers by creating defect levels that is resonant with the band edge state, and/or reduce the concentration of minority carriers through Coulomb repulsion, thus suppressing the recombination at the carrier-collecting region. The selection process is demonstrated by using Si solar cell as an example. In conclusion, our work enriches the understanding and utilization of the semiconductormore » defects.« less

Defect quasi Fermi level control-based CN reduction in GaN: Evidence for the role of minority carriers

NASA Astrophysics Data System (ADS)

Reddy, Pramod; Kaess, Felix; Tweedie, James; Kirste, Ronny; Mita, Seiji; Collazo, Ramon; Sitar, Zlatko

2017-10-01

Compensating point defect reduction in wide bandgap semiconductors is possible by above bandgap illumination based defect quasi Fermi level (dQFL) control. The point defect control technique employs excess minority carriers that influence the dQFL of the compensator, increase the corresponding defect formation energy, and consequently are responsible for point defect reduction. Previous studies on various defects in GaN and AlGaN have shown good agreement with the theoretical model, but no direct evidence for the role of minority carriers was provided. In this work, we provide direct evidence for the role of minority carriers in reducing point defects by studying the predicted increase in work done against defect (CN-1) formation with the decrease in the Fermi level (free carrier concentration) in Si doped GaN at a constant illumination intensity. Comparative defect photoluminescence measurements on illuminated and dark regions of GaN show an excellent quantitative agreement with the theory by exhibiting a greater reduction in yellow luminescence attributed to CN-1 at lower doping, thereby providing conclusive evidence for the role of the minority carriers in Fermi level control-based point defect reduction.

Defects responsible for abnormal n-type conductivity in Ag-excess doped PbTe thermoelectrics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryu, Byungki, E-mail: byungkiryu@keri.re.kr; Lee, Jae Ki; Lee, Ji Eun

Density functional calculations have been performed to investigate the role of Ag defects in PbTe thermoelectric materials. Ag-defects can be either donor, acceptor, or isovalent neutral defect. When Ag is heavily doped in PbTe, the neutral (Ag-Ag) dimer defect at Pb-site is formed and the environment changes to the Pb-rich/Te-poor condition. Under Pb-rich condition, the ionized Ag-interstitial defect (Ag{sub I}{sup +}) becomes the major donor. The formation energy of Ag{sub I}{sup +} is smaller than other native and Ag-related defects. Also it is found that Ag{sub I}{sup +} is an effective dopant. There is no additional impurity state near themore » band gap and the conduction band minimum. The charge state of Ag{sub I}{sup +} defect is maintained even when the Fermi level is located above the conduction band minimum. The diffusion constant of Ag{sub I}{sup +} is calculated based on the temperature dependent Fermi level, formation energy, and migration energy. When T > 550 K, the diffusion length of Ag within a few minutes is comparable to the grain size of the polycrystalline PbTe, implying that Ag is dissolved into PbTe and this donor defect is distributed over the whole lattice in Ag-excess doped polycrystalline PbTe. The predicted solubility of Ag{sub I}{sup +} well explains the increased electron carrier concentration and electrical conductivity reported in Ag-excess doped polycrystalline PbTe at T = 450–750 K [Pei et al., Adv. Energy Mater. 1, 291 (2011)]. In addition, we suggest that this abnormal doping behavior is also found for Au-doped PbTe.« less

Suppression of compensating native defect formation during semiconductor processing via excess carriers

NASA Astrophysics Data System (ADS)

Alberi, K.; Scarpulla, M. A.

2016-06-01

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defects are often responsible. Suppressing the concentrations of compensating defects during processing close to thermal equilibrium is difficult because formation enthalpies are lowered as the Fermi level moves towards the majority band edge. Excess carriers, introduced for example by photogeneration, modify the formation enthalpy of semiconductor defects and thus can be harnessed during crystal growth or annealing to suppress defect populations. Herein we develop a rigorous and general model for defect formation in the presence of steady-state excess carrier concentrations by combining the standard quasi-chemical formalism with a detailed-balance description that is applicable for any defect state in the bandgap. Considering the quasi-Fermi levels as chemical potentials, we demonstrate that increasing the minority carrier concentration increases the formation enthalpy for typical compensating centers, thus suppressing their formation. This effect is illustrated for the specific example of GaSb. While our treatment is generalized for excess carrier injection or generation in semiconductors by any means, we provide a set of guidelines for applying the concept in photoassisted physical vapor deposition.

Suppression of compensating native defect formation during semiconductor processing via excess carriers

DOE PAGES

Alberi, Kirstin; Scarpulla, M. A.

2016-06-21

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defects are often responsible. Suppressing the concentrations of compensating defects during processing close to thermal equilibrium is difficult because formation enthalpies are lowered as the Fermi level moves towards the majority band edge. Excess carriers, introduced for example by photogeneration, modify the formation enthalpy of semiconductor defects and thus can be harnessed during crystal growth or annealing to suppress defect populations. Herein we develop a rigorous and general model for defect formation in the presence of steady-statemore » excess carrier concentrations by combining the standard quasi-chemical formalism with a detailed-balance description that is applicable for any defect state in the bandgap. Considering the quasi-Fermi levels as chemical potentials, we demonstrate that increasing the minority carrier concentration increases the formation enthalpy for typical compensating centers, thus suppressing their formation. Furthermore, this effect is illustrated for the specific example of GaSb. While our treatment is generalized for excess carrier injection or generation in semiconductors by any means, we provide a set of guidelines for applying the concept in photoassisted physical vapor deposition.« less

Stimulated Mid-Infrared Luminescence Experiment: Contribution to the Study of Pre-Earthquake Phenomena and UV Absorption by Interstellar Dust

NASA Technical Reports Server (NTRS)

Freund, Friedemann; Freund, Minoru M.; Tsay, Si-Chee; Ouzounov, Dimitar

2004-01-01

The work performed under this proposal is based on the experimentally supported observation - or inference - that a small fraction of the oxygen anions in silicate minerals in igneous and high-grade metamorphic rocks on Earth may not be in the usual 2- oxidation state, O(sup 2-), but in a higher oxidation state, as O(sup -). If this is true, the same would likely apply to the fine dust that fills the diffuse interstellar medium. An (sup -) in a matrix of O(sup 2-) represents a defect electron in the valence band, also known as positive hole or p-hole for short. When two O(sup -) combine, they undergo spin-pairing and form a positive hole pair, PHP. Chemically speaking a PHP is a peroxy bond. In an oxide matrix a peroxy bond takes the form of a peroxy anion, O2(sup 2-). In a silicate matrix it probably exists in the form of peroxy links between adjacent [SiO4] tetrahedral, O3Si00\\SiO3. From a physics perspective a PHP is an electrically inactive point defect, which contains dormant electronic charge carriers. When the peroxy bond breaks, p-hole charge carriers are released. These p-holes are diffusively mobile and spread through the O 2p-dominated valence band of the otherwise insulating mineral matrix.

Phase separation and defect formation in stable, metastable, and unstable GaInAsSb alloys for infrared applications

NASA Astrophysics Data System (ADS)

Yildirim, Asli

GaInAsSb is a promising material for mid-infrared devices such as lasers and detectors because it is a direct band gap material with large radiative coefficient and a cut-off wavelength that can be varied across the mid-infrared (from 1.7 to 4.9 mum) while remaining lattice matched to GaSb. On the other hand, the potential of the alloy is hampered by predicted ranges of concentration where the constituents of the alloy become immiscible when the crystal is grown near thermodynamic equilibrium at typical growth temperatures. There have been efforts to extend the wavelength of GaInAsSb alloys through such techniques as digital alloy growth and non-equilibrium growth, but most of the compositional range has for a long time been inaccessible due to immiscibility challenges. Theoretical studies also supported the existence of thermodynamic immiscibility gaps for non-equilibrium growth conditions. Lower growth temperatures lead to shorther adatom diffusion length. While a shorter adatom diffusion length suppresses phase separation, too short an adatom length is associated with increased defect formation and eventually loss of crystallinity. On the other hand, hotter growth temperatures move epitaxial growth closer to thermodynamic equilib- rium conditions, and will eventually cause phase separation to occur. In this study thick 2 um; bulk GaInAsSb layers lattice-matched to GaSb substrates were grown across the entire (lattice-matched) compositional range at low growth temperatures (450° C), including the immiscibility region, when grown under non-equilibrium conditions with MBE. High quality epitaxial layers were grown for all compositions, as evidenced by smooth morphology (atomic force microscopy), high structural quality (X-ray diffraction), low alloy fluctuactions (electron dispersive spectroscopy in cross sectioned samples), and bright room temperature photoluminescence. Because initial theoretical efforts have suggessted that lattice strain can influence layer stability, we have studied effects of strain on alloy stability. Unstable and metastable alloys were grown hot enough for the onset of phase separation, then progressively strained and characterized. We show that strain is effective in suppressing phase separation. Finally, we performed time-resolved carrier lifetime measurements for InAsSb alloy with low concentrations of Ga to investigate the role of Ga in influencing nonradiative carrier recombination. There have been studies on non-Ga containing antimonide structures (InAsSb, InAs/InAsSb) that show long carrier lifetimes, which suggest that Ga plays a role in reducing carrier lifetime, because Ga-containing structures such as InAs/GaSb superlattices have much shorter carrier lifetimes. Ga may reduce carrier lifetime through native defects that increase background carrier concentration, or that create mid-gap electronic states. Here, a series of GaInAsSb alloys were grown with low to zero Ga concentration. No difference in carrier lifetime was observed between Ga and Ga-free structures, and minority carrier lifetimes > 600 ns were observed. Additional work remains to be done to obtain background carrier densities in the samples with Hall measurements.

Density Functional Theory Calculations of Activation Energies for Carrier Capture by Defects in Semiconductors

NASA Astrophysics Data System (ADS)

Modine, Normand; Wright, Alan; Lee, Stephen

2015-03-01

Carrier recombination due to defects can have a major impact on device performance. The rate of defect-induced recombination is determined by both defect levels and carrier capture cross-sections. Density functional theory (DFT) has been widely and successfully used to predict defect levels, but only recently has work begun to focus on using DFT to determine carrier capture cross-sections. Lang and Henry worked out the fundamental theory of carrier-capture by multiphonon emission in the 1970s and showed that, above the Debye temperature, carrier-capture cross-sections differ between defects primarily due to differences in their carrier capture activation energies. We present an approach to using DFT to calculate carrier capture activation energies that does not depend on an assumed configuration coordinate and that fully accounts for anharmonic effects, which can substantially modify carrier activation energies. We demonstrate our approach for the -3/-2 level of the Ga vacancy in wurtzite GaN. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Density Functional Theory Calculations of Activation Energies for Carrier Capture by Defects in Semiconductors

NASA Astrophysics Data System (ADS)

Modine, N. A.; Wright, A. F.; Lee, S. R.

The rate of defect-induced carrier recombination is determined by both defect levels and carrier capture cross-sections. Density functional theory (DFT) has been widely and successfully used to predict defect levels, but only recently has work begun to focus on using DFT to determine carrier capture cross-sections. Lang and Henry developed the theory of carrier-capture by multiphonon emission in the 1970s and showed that carrier-capture cross-sections differ between defects primarily due to differences in their carrier capture activation energies. We present an approach to using DFT to calculate carrier capture activation energies that does not depend on an assumed configuration coordinate and that fully accounts for anharmonic effects, which can substantially modify carrier activation energies. We demonstrate our approach for intrinisic defects in GaAs and GaN and discuss how our results depend on the choice of exchange-correlation functional and the treatment of spin polarization. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Accelerated carrier recombination by grain boundary/edge defects in MBE grown transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Chen, Ke; Roy, Anupam; Rai, Amritesh; Movva, Hema C. P.; Meng, Xianghai; He, Feng; Banerjee, Sanjay K.; Wang, Yaguo

2018-05-01

Defect-carrier interaction in transition metal dichalcogenides (TMDs) plays important roles in carrier relaxation dynamics and carrier transport, which determines the performance of electronic devices. With femtosecond laser time-resolved spectroscopy, we investigated the effect of grain boundary/edge defects on the ultrafast dynamics of photoexcited carrier in molecular beam epitaxy (MBE)-grown MoTe2 and MoSe2. We found that, comparing with exfoliated samples, the carrier recombination rate in MBE-grown samples accelerates by about 50 times. We attribute this striking difference to the existence of abundant grain boundary/edge defects in MBE-grown samples, which can serve as effective recombination centers for the photoexcited carriers. We also observed coherent acoustic phonons in both exfoliated and MBE-grown MoTe2, indicating strong electron-phonon coupling in this materials. Our measured sound velocity agrees well with the previously reported result of theoretical calculation. Our findings provide a useful reference for the fundamental parameters: carrier lifetime and sound velocity and reveal the undiscovered carrier recombination effect of grain boundary/edge defects, both of which will facilitate the defect engineering in TMD materials for high speed opto-electronics.

Thermal stability of deep level defects induced by high energy proton irradiation in n-type GaN

NASA Astrophysics Data System (ADS)

Zhang, Z.; Farzana, E.; Sun, W. Y.; Chen, J.; Zhang, E. X.; Fleetwood, D. M.; Schrimpf, R. D.; McSkimming, B.; Kyle, E. C. H.; Speck, J. S.; Arehart, A. R.; Ringel, S. A.

2015-10-01

The impact of annealing of proton irradiation-induced defects in n-type GaN devices has been systematically investigated using deep level transient and optical spectroscopies. Moderate temperature annealing (>200-250 °C) causes significant reduction in the concentration of nearly all irradiation-induced traps. While the decreased concentration of previously identified N and Ga vacancy related levels at EC - 0.13 eV, 0.16 eV, and 2.50 eV generally followed a first-order reaction model with activation energies matching theoretical values for NI and VGa diffusion, irradiation-induced traps at EC - 0.72 eV, 1.25 eV, and 3.28 eV all decrease in concentration in a gradual manner, suggesting a more complex reduction mechanism. Slight increases in concentration are observed for the N-vacancy related levels at EC - 0.20 eV and 0.25 eV, which may be due to the reconfiguration of other N-vacancy related defects. Finally, the observed reduction in concentrations of the states at EC - 1.25 and EC - 3.28 eV as a function of annealing temperature closely tracks the detailed recovery behavior of the background carrier concentration as a function of annealing temperature. As a result, it is suggested that these two levels are likely to be responsible for the underlying carrier compensation effect that causes the observation of carrier removal in proton-irradiated n-GaN.

Carrier removal and defect behavior in p-type InP

NASA Technical Reports Server (NTRS)

Weinberg, I.; Swartz, C. K.; Drevinsky, P. J.

1992-01-01

A simple expression, obtained from the rate equation for defect production, was used to relate carrier removal to defect production and hole trapping rates in p-type InP after irradiation by 1-MeV electrons. Specific contributions to carrier removal from defect levels H3, H4, and H5 were determined from combined deep-level transient spectroscopy (DLTS) and measured carrier concentrations. An additional contribution was attributed to one or more defects not observed by the present DLTS measurements. The high trapping rate observed for H5 suggests that this defect, if present in relatively high concentration, could be dominant in p-type InP.

Influence of the formation- and passivation rate of boron-oxygen defects for mitigating carrier-induced degradation in silicon within a hydrogen-based model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hallam, Brett, E-mail: brett.hallam@unsw.edu.au; Abbott, Malcolm; Nampalli, Nitin

2016-02-14

A three-state model is used to explore the influence of defect formation- and passivation rates of carrier-induced degradation related to boron-oxygen complexes in boron-doped p-type silicon solar cells within a hydrogen-based model. The model highlights that the inability to effectively mitigate carrier-induced degradation at elevated temperatures in previous studies is due to the limited availability of defects for hydrogen passivation, rather than being limited by the defect passivation rate. An acceleration of the defect formation rate is also observed to increase both the effectiveness and speed of carrier-induced degradation mitigation, whereas increases in the passivation rate do not lead tomore » a substantial acceleration of the hydrogen passivation process. For high-throughput mitigation of such carrier-induced degradation on finished solar cell devices, two key factors were found to be required, high-injection conditions (such as by using high intensity illumination) to enable an acceleration of defect formation whilst simultaneously enabling a rapid passivation of the formed defects, and a high temperature to accelerate both defect formation and defect passivation whilst still ensuring an effective mitigation of carrier-induced degradation.« less

Material requirements for the adoption of unconventional silicon crystal and wafer growth techniques for high-efficiency solar cells

DOE PAGES

Hofstetter, Jasmin; del Cañizo, Carlos; Wagner, Hannes; ...

2015-10-15

Silicon wafers comprise approximately 40% of crystalline silicon module cost and represent an area of great technological innovation potential. Paradoxically, unconventional wafer-growth techniques have thus far failed to displace multicrystalline and Czochralski silicon, despite four decades of innovation. One of the shortcomings of most unconventional materials has been a persistent carrier lifetime deficit in comparison to established wafer technologies, which limits the device efficiency potential. In this perspective article, we review a defect-management framework that has proven successful in enabling millisecond lifetimes in kerfless and cast materials. Control of dislocations and slowly diffusing metal point defects during growth, coupled tomore » effective control of fast-diffusing species during cell processing, is critical to enable high cell efficiencies. As a result, to accelerate the pace of novel wafer development, we discuss approaches to rapidly evaluate the device efficiency potential of unconventional wafers from injection-dependent lifetime measurements.« less

Material requirements for the adoption of unconventional silicon crystal and wafer growth techniques for high-efficiency solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofstetter, Jasmin; del Cañizo, Carlos; Wagner, Hannes

Silicon wafers comprise approximately 40% of crystalline silicon module cost and represent an area of great technological innovation potential. Paradoxically, unconventional wafer-growth techniques have thus far failed to displace multicrystalline and Czochralski silicon, despite four decades of innovation. One of the shortcomings of most unconventional materials has been a persistent carrier lifetime deficit in comparison to established wafer technologies, which limits the device efficiency potential. In this perspective article, we review a defect-management framework that has proven successful in enabling millisecond lifetimes in kerfless and cast materials. Control of dislocations and slowly diffusing metal point defects during growth, coupled tomore » effective control of fast-diffusing species during cell processing, is critical to enable high cell efficiencies. As a result, to accelerate the pace of novel wafer development, we discuss approaches to rapidly evaluate the device efficiency potential of unconventional wafers from injection-dependent lifetime measurements.« less

High Efficiency Large Area Polysilicon Solar Cells

NASA Technical Reports Server (NTRS)

Johnson, S. M.; Winter, C.

1985-01-01

Large area (100 sq cm) polysilicon solar cells having efficiencies of up to 14.1% (100 mW/sq cm, 25 C) were fabricated and a detailed analysis was performed to identify the efficiency loss mechanisms. The 1-5 characteristics of the best cell were dominated by recombination in the quasi-neutral base due to the combination of minority carrier diffusion length and base resistivity. An analysis of the microstructural defects present in the material and their effect on the electrical properties is presented.

Modeling and optimal designs for dislocation and radiation tolerant single and multijunction solar cells

NASA Astrophysics Data System (ADS)

Mehrotra, A.; Alemu, A.; Freundlich, A.

2011-02-01

Crystalline defects (e.g. dislocations or grain boundaries) as well as electron and proton induced defects cause reduction of minority carrier diffusion length which in turn results in degradation of efficiency of solar cells. Hetro-epitaxial or metamorphic III-V devices with low dislocation density have high BOL efficiencies but electron-proton radiation causes degradation in EOL efficiencies. By optimizing the device design (emitter-base thickness, doping) we can obtain highly dislocated metamorphic devices that are radiation resistant. Here we have modeled III-V single and multi junction solar cells using drift and diffusion equations considering experimental III-V material parameters, dislocation density, 1 Mev equivalent electron radiation doses, thicknesses and doping concentration. Thinner device thickness leads to increment in EOL efficiency of high dislocation density solar cells. By optimizing device design we can obtain nearly same EOL efficiencies from high dislocation solar cells than from defect free III-V multijunction solar cells. As example defect free GaAs solar cell after optimization gives 11.2% EOL efficiency (under typical 5x1015cm-2 1 MeV electron fluence) while a GaAs solar cell with high dislocation density (108 cm-2) after optimization gives 10.6% EOL efficiency. The approach provides an additional degree of freedom in the design of high efficiency space cells and could in turn be used to relax the need for thick defect filtering buffer in metamorphic devices.

Effects of intrinsic and extrinsic point defects on epitaxial single crystal copper-indium(1-x)-gallium(x)-diselenide

NASA Astrophysics Data System (ADS)

Schroeder, David James

From the results presented here a number of conclusions regarding the effects of point defects on the properties of epitaxial single crystal CuInsb{1-x}Gasb{x}Sesb2 (CIGS) may be drawn. These conclusions may be divided into three categories: the effects of point defects on Ga diffusion and diffusivity, the influence of impurities and alloying elements on doping and mobility, and the effects of impurities on minority carrier recombination kinetics. The diffusivity of Ga into CIGS during growth was found to be strongly dependent of the Cu/In ratio of the growing layer. Diffusivity ranged from a minimum of 2.7×10sp{-13}\\ cmsp2/s at Cu/In = 0.94 to 5 × 10sp{-11} cmsp2/s at Cu/In = 1.41 and 7×10sp{-12} cmsp2/s at Cu/In = 0.43. The diffusion occurred by a vacancy mechanism with Ga, apparently, diffusing through either Cu or In vacancies. The sharp change in diffusivity with changing Cu/In ratio helps to explain the difficulty in maintaining a desired Ga profile in polycrystalline CIGS device absorber layers. Increasing Ga content was found to increase both acceptor and donor density. The decrease in Jsbsc found in Ga-containing polycrystalline devices, is likely caused by a large increase in acceptor density, which may cause less inversion of the surface of the p-type CIGS making the junction more sensitive to surface states. The effect of adding Na by diffusion from either NaOH or Nasp2Se was to reduce the donor density. These results help to explain results in polycrystalline CIGS devices where Na increased hole concentrations, Vsboc, and device efficiency. Unlike Ga and Na, Cr and Se were not found to have any strong effect when added in concentrations ≤10sp{19} cmsp{-3} using ion implantation. The lack of an effect of Se on doping conclusively determines that Na has an effect beyond simply introducing either O or Se into the bulk of the CIGS. While both implanted Se and Cr created large numbers of donors and acceptors before being annealed, both caused a decrease in acceptor concentration after annealing with the effect of Cr being larger than that of Se. Both Se and Cr reduced hole mobility over the entire temperature range investigated. These results imply that CIGS-based devices should be insensitive to accidental transition metal contamination. The steady state photoconductivity of samples which had been ion implanted with Se and Cr, as well as samples which were contaminated with Na by diffusion, was measured. These measurements were made to determine whether contamination by these elements or severe radiation damage affects minority carrier recombination kinetics. In all cases the photoconductivity was found to be unaffected other than by changes in mobility. (Abstract shortened by UMI.)

Effect of atomic-scale defects and dopants on phosphorene electronic structure and quantum transport properties

DOE PAGES

Lopez-Bezanilla, Alejandro

2016-01-20

By means of a multi-scale first-principles approach, a description of the local electronic structure of 2D and narrow phosphorene sheets with various types of modifications is presented. Firtly, a rational argument based on the geometry of the pristine and modified P network, and supported by the Wannier functions formalism is introduced to describe a hybridization model of the P atomic orbitals. Ab initio calculations show that non-isoelectronic foreign atoms form quasi-bound states at varying energy levels and create different polarization states depending on the number of valence electrons between P and the doping atom. The quantum transport properties of modifiedmore » phosphorene ribbons are further described with great accuracy. The distortions on the electronic bands induced by the external species lead to strong backscattering effects on the propagating charge carriers. Depending on the energy of the charge carrier and the type of doping, the conduction may range from the diffusive to the localized regime. Interstitial defects at vacant sites lead to homogeneous transport fingerprints across different types of doping atoms. We suggest that the relatively low values of charge mobility reported in experimental measurements may have its origin in the presence of defects.« less

Effects of Excess Carriers on Charged Defect Concentrations in Wide Bandgap Semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alberi, Kirstin M; Scarpulla, Michael A.

Unintentional doping and doping limits in semiconductors are typically caused by compensating defects with low formation energies. Since the formation enthalpy of a charged defect depends linearly on the Fermi level, doping limits can be especially pronounced in wide bandgap semiconductors where the Fermi level can vary substantially. Introduction of non-equilibrium carrier concentrations during growth or processing alters the chemical potentials of band carriers and allows populations of charged defects to be modified in ways impossible at thermal equilibrium. We demonstrate that in the presence of excess carriers, the rates of carrier capture and emission involving a defect charge transitionmore » level determine the admixture of electron and hole quasi-Fermi levels involved in the formation enthalpy of non-zero charge defect states. To understand the range of possible responses, we investigate the behavior of a single donor-like defect as functions of extrinsic doping and charge transition level energy. We find that that excess carriers will increase the formation enthalpy of compensating defects for most values of the charge transition level in the bandgap. Thus, it may be possible to use non-equilibrium carrier concentrations to overcome limitations on doping imposed by native defects. Cases also exist in which the concentration of defects with the same charge polarity as the majority dopant is either left unchanged or actually increases. This surprising effect arises when emission rates are suppressed relative to the capture rates and is most pronounced in wide bandgap semiconductors. We provide guidelines for carrying out experimental tests of this model.« less

Effects of excess carriers on charged defect concentrations in wide bandgap semiconductors

NASA Astrophysics Data System (ADS)

Alberi, Kirstin; Scarpulla, Michael A.

2018-05-01

Unintentional doping and doping limits in semiconductors are typically caused by compensating defects with low formation energies. Since the formation enthalpy of a charged defect depends linearly on the Fermi level, doping limits can be especially pronounced in wide bandgap semiconductors where the Fermi level can vary substantially. Introduction of non-equilibrium carrier concentrations during growth or processing alters the chemical potentials of band carriers and allows populations of charged defects to be modified in ways impossible at thermal equilibrium. We demonstrate that in the presence of excess carriers, the rates of carrier capture and emission involving a defect charge transition level determine the admixture of electron and hole quasi-Fermi levels involved in the formation enthalpy of non-zero charge defect states. To understand the range of possible responses, we investigate the behavior of a single donor-like defect as functions of extrinsic doping and charge transition level energy. We find that that excess carriers will increase the formation enthalpy of compensating defects for most values of the charge transition level in the bandgap. Thus, it may be possible to use non-equilibrium carrier concentrations to overcome limitations on doping imposed by native defects. Cases also exist in which the concentration of defects with the same charge polarity as the majority dopant is either left unchanged or actually increases. This surprising effect arises when emission rates are suppressed relative to the capture rates and is most pronounced in wide bandgap semiconductors. We provide guidelines for carrying out experimental tests of this model.

Characterization of basic physical properties of Sb 2Se 3 and its relevance for photovoltaics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Chao; Bobela, David C.; Yang, Ye

Antimony selenide (Sb 2Se 3) is a promising absorber material for thin film photovoltaics because of its attractive material, optical and electrical properties. In recent years, the power conversion efficiency (PCE) of Sb 2Se 3 thin film solar cells has gradually enhanced to 5.6%. In this article, we systematically studied the basic physical properties of Sb 2Se 3 such as dielectric constant, anisotropic mobility, carrier lifetime, diffusion length, defect depth, defect density and optical band tail states. Here, we believe such a comprehensive characterization of the basic physical properties of Sb 2Se 3 lays a solid foundation for further optimizationmore » of solar device performance.« less

Impact of the silicon substrate resistivity and growth condition on the deep levels in Ni-Au/AlN/Si MIS Capacitors

NASA Astrophysics Data System (ADS)

Wang, Chong; Simoen, Eddy; Zhao, Ming; Li, Wei

2017-10-01

Deep levels formed under different growth conditions of a 200 nm AlN buffer layer on B-doped Czochralski Si(111) substrates with different resistivity were investigated by deep-level transient spectroscopy (DLTS) on metal-insulator-semiconductor capacitors. Growth-temperature-dependent Al diffusion in the Si substrate was derived from the free carrier density obtained by capacitance-voltage measurement on samples grown on p- substrates. The DLTS spectra revealed a high concentration of point and extended defects in the p- and p+ silicon substrates, respectively. This indicated a difference in the electrically active defects in the silicon substrate close to the AlN/Si interface, depending on the B doping concentration.

Characterization of basic physical properties of Sb 2Se 3 and its relevance for photovoltaics

DOE PAGES

Chen, Chao; Bobela, David C.; Yang, Ye; ...

2017-03-17

Antimony selenide (Sb 2Se 3) is a promising absorber material for thin film photovoltaics because of its attractive material, optical and electrical properties. In recent years, the power conversion efficiency (PCE) of Sb 2Se 3 thin film solar cells has gradually enhanced to 5.6%. In this article, we systematically studied the basic physical properties of Sb 2Se 3 such as dielectric constant, anisotropic mobility, carrier lifetime, diffusion length, defect depth, defect density and optical band tail states. Here, we believe such a comprehensive characterization of the basic physical properties of Sb 2Se 3 lays a solid foundation for further optimizationmore » of solar device performance.« less

Structural Defects in Donor-Acceptor Blends: Influence on the Performance of Organic Solar Cells

NASA Astrophysics Data System (ADS)

Sergeeva, Natalia; Ullbrich, Sascha; Hofacker, Andreas; Koerner, Christian; Leo, Karl

2018-02-01

Defects play an important role in the performance of organic solar cells. The investigation of trap states and their origin can provide ways to further improve their performance. Here, we investigate defects in a system composed of the small-molecule oligothiophene derivative DCV5T-Me blended with C60 , which shows power conversion efficiencies above 8% when used in a solar cell. From a reconstruction of the density of trap states by impedance spectroscopy, we obtain a Gaussian distribution of trap states with Et=470 meV below the electron transport level, Nt=8 ×1014 cm-3 , and σt=41 meV . From Voc vs illumination intensity and open-circuit corrected charge carrier extraction measurements, we find that these defects lead to trap-assisted recombination. Moreover, drift-diffusion simulations show that the trap states decrease the fill factor by 10%. By conducting degradation measurements and varying the blend ratio, we find that the observed trap states are structural defects in the C60 phase due to the distortion of the natural morphology induced by the mixing.

Imaging charge carriers in potential-induced degradation defects of c-Si solar cells by scanning capacitance microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, C. -S.; Xiao, C.; Moutinho, H. R.

We report on nm-resolution imaging of charge-carrier distribution around local potential-induced degradation (PID) shunting defects using scanning capacitance microscopy. We imaged on cross sections of heavily field-degraded module areas, cored out and selected by mm-scale photoluminescence imaging. We found localized areas with abnormal carrier behavior induced by the PID defects: the apparent n-type carrier extends vertically into the absorber to ~1-2 um from the cell surface, and laterally in similar lengths; in defect-free areas, the n-type carrier extends ~0.5 um, which is consistent with the junction depth. For comparison, we also investigated areas of the same module exhibiting the leastmore » PID stress, and we found no such heavily damaged junction area. Instead, we found slightly abnormal carrier behavior, where the carrier-type inversion in the absorber did not occur, but the p-type carrier concentration changed slightly in a much smaller lateral length of ~300 nm. These nano-electrical findings may indicate a possible mechanism that the existing extended defects, which may not be significantly harmful to cell performance, can be changed by PID to heavily damaged junction areas.« less

Imaging charge carriers in potential-induced degradation defects of c-Si solar cells by scanning capacitance microscopy

DOE PAGES

Jiang, C. -S.; Xiao, C.; Moutinho, H. R.; ...

2018-02-13

We report on nm-resolution imaging of charge-carrier distribution around local potential-induced degradation (PID) shunting defects using scanning capacitance microscopy. We imaged on cross sections of heavily field-degraded module areas, cored out and selected by mm-scale photoluminescence imaging. We found localized areas with abnormal carrier behavior induced by the PID defects: the apparent n-type carrier extends vertically into the absorber to ~1-2 um from the cell surface, and laterally in similar lengths; in defect-free areas, the n-type carrier extends ~0.5 um, which is consistent with the junction depth. For comparison, we also investigated areas of the same module exhibiting the leastmore » PID stress, and we found no such heavily damaged junction area. Instead, we found slightly abnormal carrier behavior, where the carrier-type inversion in the absorber did not occur, but the p-type carrier concentration changed slightly in a much smaller lateral length of ~300 nm. These nano-electrical findings may indicate a possible mechanism that the existing extended defects, which may not be significantly harmful to cell performance, can be changed by PID to heavily damaged junction areas.« less

Tunneling Characteristics Depending on Schottky Barriers and Diffusion Current in SiOC.

PubMed

Oh, Teresa; Kim, Chy Hyung

2016-02-01

To obtain a diffusion current in SiOC, the aluminum doped zinc oxide films were deposited on SiOC/Si wafer by a RF magnetron sputtering. All the X-ray patterns of the SiOC films showed amorphous phases. The level of binding energy of Si atoms will lead to an additional potential modulation by long range Coulombic and covalent interactions with oxygen ions. The growth of the AZO film was affected by the characteristics of SiOC, resulting in similar trends in XPS spectra and a shift to higher AZO lattice d values than the original AZO d values in XRD analyses. The charges trapped by the defects at the interlayer between AZO and SiOC films induced the decreased mobility of carriers. In the absence of trap charges, AZO grown on SiOC film such as the sample prepared at O2 = 25 or 30 sccm, which has low charge carrier concentration and high mobility, showed high mobility in an ambipolar characteristic of oxide semiconductor due to the tunneling effect and diffusion current. The structural matching of an interface between AZO and amorphous SiOC enhanced the height of Schottky Barrier (SB), and then the mobility was increased by the tunneling effect from band to band through the high SB.

Synchrotron-based analysis of chromium distributions in multicrystalline silicon for solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jensen, Mallory Ann; Hofstetter, Jasmin; Morishige, Ashley E.

Chromium (Cr) can degrade silicon wafer-based solar cell efficiencies at concentrations as low as 10(10) cm(-3). In this contribution, we employ synchrotron-based X-ray fluorescence microscopy to study chromium distributions in multicrystalline silicon in as-grown material and after phosphorous diffusion. We complement quantified precipitate size and spatial distribution with interstitial Cr concentration and minority carrier lifetime measurements to provide insight into chromium gettering kinetics and offer suggestions for minimizing the device impacts of chromium. We observe that Cr-rich precipitates in as-grown material are generally smaller than iron-rich precipitates and that Cri point defects account for only one-half of the total Crmore » in the as-grown material. This observation is consistent with previous hypotheses that Cr transport and CrSi2 growth are more strongly diffusion-limited during ingot cooling. We apply two phosphorous diffusion gettering profiles that both increase minority carrier lifetime by two orders of magnitude and reduce [Cr-i] by three orders of magnitude to approximate to 10(10) cm(-3). Some Cr-rich precipitates persist after both processes, and locally high [Cri] after the high-temperature process indicates that further optimization of the chromium gettering profile is possible. (C) 2015 AIP Publishing LLC.« less

Micro-spectroscopy on silicon wafers and solar cells

PubMed Central

2011-01-01

Micro-Raman (μRS) and micro-photoluminescence spectroscopy (μPLS) are demonstrated as valuable characterization techniques for fundamental research on silicon as well as for technological issues in the photovoltaic production. We measure the quantitative carrier recombination lifetime and the doping density with submicron resolution by μPLS and μRS. μPLS utilizes the carrier diffusion from a point excitation source and μRS the hole density-dependent Fano resonances of the first order Raman peak. This is demonstrated on micro defects in multicrystalline silicon. In comparison with the stress measurement by μRS, these measurements reveal the influence of stress on the recombination activity of metal precipitates. This can be attributed to the strong stress dependence of the carrier mobility (piezoresistance) of silicon. With the aim of evaluating technological process steps, Fano resonances in μRS measurements are analyzed for the determination of the doping density and the carrier lifetime in selective emitters, laser fired doping structures, and back surface fields, while μPLS can show the micron-sized damage induced by the respective processes. PMID:21711723

Extended defects and hydrogen interactions in ion implanted silicon

NASA Astrophysics Data System (ADS)

Rangan, Sanjay

The structural and electrical properties of extended defects generated because of ion implantation and the interaction of hydrogen with these defects have been studied in this work. Two distinct themes have been studied, the first where defects are a detrimental and the second where they are useful. In the first scenario, transient enhanced diffusion of boron has been studied and correlated with defect evolution studies due to silicon and argon ion implants. Spreading resistance profiles (SRP) correlated with deep level transient spectroscopy (DLTS) measurements, reveal that a low anneal temperatures (<650°C) defect dissolution and defect injection dominates, resulting in increased junction depths. At higher anneal temperatures, however, repair dominates over defect injection resulting in shallower junctions. Hydrogenation experiments shows that hydrogen enhances dopant activation and reduces TED at low anneal temperatures (<550°C). At anneal temperatures >550°C, the effect of hydrogen is lost, due to its out-diffusion. Moreover, due to catastrophic out-diffusion of hydrogen, additional damage is created resulting in deeper junctions in hydrogenated samples, compared to the non-hydrogenated ones. Comparing defect evolution due to Si and Ar ion implants at different anneal temperatures, while the type of defects is the same in the two cases, their (defect) dissolution occurs at lower anneal temperatures (˜850°C) for Si implants. Dissolution for Ar implants seems to occur at higher anneal temperatures. The difference has been attributed to the increased number of vacancies created by Ar to that of silicon implant. In second aspect, nano-cavity formation due to vacancy agglomeration has been studied by helium ion implantation and furnace anneal, where the effect of He dose, implant energy and anneal time have been processing parameters that have been varied. Cavities are formed only when the localized concentration of He is greater than 3 x 1020 cm-3. While at high implant doses, a continuous cavity layer is formed, at low implant doses a discontinuous layer is observed. The formation of cavities at low doses has been observed for the first time. Variation of anneal times reveal that cavities are initially facetted (for short anneal times) and tend to become spherical when annealed for along time (300min). Also presented is the recipe for formation of multiple cavity layers and the electrical and optical properties of these cavities. Electrically, these cavities are metastable, with two strong minority carrier peaks formed by multiple defect levels. Photoluminescence measurements reveal a strong 0.8eV photon peak.

Carrier collection losses in interface passivated amorphous silicon thin-film solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neumüller, A., E-mail: alex.neumueller@next-energy.de; Sergeev, O.; Vehse, M.

In silicon thin-film solar cells the interface between the i- and p-layer is the most critical. In the case of back diffusion of photogenerated minority carriers to the i/p-interface, recombination occurs mainly on the defect states at the interface. To suppress this effect and to reduce recombination losses, hydrogen plasma treatment (HPT) is usually applied. As an alternative to using state of the art HPT we apply an argon plasma treatment (APT) before the p-layer deposition in n-i-p solar cells. To study the effect of APT, several investigations were applied to compare the results with HPT and no plasma treatmentmore » at the interface. Carrier collection losses in resulting solar cells were examined with spectral response measurements with and without bias voltage. To investigate single layers, surface photovoltage and X-ray photoelectron spectroscopy (XPS) measurements were conducted. The results with APT at the i/p-interface show a beneficial contribution to the carrier collection compared with HPT and no plasma treatment. Therefore, it can be concluded that APT reduces the recombination centers at the interface. Further, we demonstrate that carrier collection losses of thin-film solar cells are significantly lower with APT.« less

Gallium arsenide solar cell radiation damage study

NASA Technical Reports Server (NTRS)

Maurer, R. H.; Herbert, G. A.; Kinnison, J. D.; Meulenberg, A.

1989-01-01

A thorough analysis has been made of electron- and proton- damaged GaAs solar cells suitable for use in space. It is found that, although some electrical parametric data and spectral response data are quite similar, the type of damage due to the two types of radiation is different. An I-V analysis model shows that electrons damage the bulk of the cell and its currents relatively more, while protons damage the junction of the cell and its voltages more. It is suggested that multiple defects due to protons in a strong field region such as a p/n junction cause the greater degradation in cell voltage, whereas the individual point defects in the quasi-neutral minority-carrier-diffusion regions due to electrons cause the greater degradation in cell current and spectral response.

A novel grating-imaging method to measure carrier diffusion coefficient in graphene

NASA Astrophysics Data System (ADS)

Chen, Ke; Wang, Yaguo; Akinwande, Deji; Bank, Seth; Lin, Jung-Fu

Similar to carrier mobility, carrier diffusion coefficient in graphene determines the response rate of future graphene-based electronics. Here we present a simple, sensitive and non-destructive technique integrated with ultrafast pump-probe spectroscopy to measure carrier diffusion in CVD-grown graphene. In the method, the pump and the probe beams pass through the same area of a photomask with metal strips i.e. a transmission amplitude grating, and get diffracted. The diffracted light is collected by an objective lens and focused onto the sample to generate carrier density grating. Relaxation of this carrier density grating is governed by both carrier recombination and carrier diffusion in the sample. Transient transmission change of the probe beams, which reflects this relaxation process, is recorded. The measured diffusion coefficients of multilayer and monolayer CVD-grown graphene are 2000cm2/s and 10000cm2/s, respectively, comparable with the reported values of epitaxial graphene and reduced graphene. This transmission grating technique can be used to measure carrier dynamics in versatile 2D materials.

Thin silicon foils produced by epoxy-induced spalling of silicon for high efficiency solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martini, R., E-mail: roberto.martini@imec.be; imec, Kapeldreef 75, 3001 Leuven; Kepa, J.

2014-10-27

We report on the drastic improvement of the quality of thin silicon foils produced by epoxy-induced spalling. In the past, researchers have proposed to fabricate silicon foils by spalling silicon substrates with different stress-inducing materials to manufacture thin silicon solar cells. However, the reported values of effective minority carrier lifetime of the fabricated foils remained always limited to ∼100 μs or below. In this work, we investigate epoxy-induced exfoliated foils by electron spin resonance to analyze the limiting factors of the minority carrier lifetime. These measurements highlight the presence of disordered dangling bonds and dislocation-like defects generated by the exfoliation process.more » A solution to remove these defects compatible with the process flow to fabricate solar cells is proposed. After etching off less than 1 μm of material, the lifetime of the foil increases by more than a factor of 4.5, reaching a value of 461 μs. This corresponds to a lower limit of the diffusion length of more than 7 times the foil thickness. Regions with different lifetime correlate well with the roughness of the crack surface which suggests that the lifetime is now limited by the quality of the passivation of rough surfaces. The reported values of the minority carrier lifetime show a potential for high efficiency (>22%) thin silicon solar cells.« less

The multiple roles of small-angle tilt grain boundaries in annihilating radiation damage in SiC

DOE PAGES

Jiang, Hao; Wang, Xing; Szlufarska, Izabela

2017-02-09

Lattice defects generated by radiation damage can diffuse to grain boundaries (GBs) and be annihilated at GBs. However, the precise role of GBs in annihilating the segregated defects remains unclear. Here, we employed multi-scale models to determine how interstitials are annihilated at small-angle tilt GBs (STGBs) in SiC. First of all, we found the pipe diffusion of interstitials in STGBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, we found both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled andmore » can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of STGBs in annihilating radiation damage. This model includes defect flux to GBs, pipe diffusion in STGBs, and the interaction of defects with jogs. The model predicts the role of STGBs in annihilating defects depends on the rate of defects segregation to and diffusion along STGBs. STGBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. As a result, when defect diffusivity is low, most of the defects segregated to STGBs are annihilated by dislocation climb.« less

The multiple roles of small-angle tilt grain boundaries in annihilating radiation damage in SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Hao; Wang, Xing; Szlufarska, Izabela

Lattice defects generated by radiation damage can diffuse to grain boundaries (GBs) and be annihilated at GBs. However, the precise role of GBs in annihilating the segregated defects remains unclear. Here, we employed multi-scale models to determine how interstitials are annihilated at small-angle tilt GBs (STGBs) in SiC. First of all, we found the pipe diffusion of interstitials in STGBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, we found both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled andmore » can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of STGBs in annihilating radiation damage. This model includes defect flux to GBs, pipe diffusion in STGBs, and the interaction of defects with jogs. The model predicts the role of STGBs in annihilating defects depends on the rate of defects segregation to and diffusion along STGBs. STGBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. As a result, when defect diffusivity is low, most of the defects segregated to STGBs are annihilated by dislocation climb.« less

Probing Photoexcited Carriers in a Few-Layer MoS2 Laminate by Time-Resolved Optical Pump-Terahertz Probe Spectroscopy.

PubMed

Kar, Srabani; Su, Y; Nair, R R; Sood, A K

2015-12-22

We report the dynamics of photoinduced carriers in a free-standing MoS2 laminate consisting of a few layers (1-6 layers) using time-resolved optical pump-terahertz probe spectroscopy. Upon photoexcitation with the 800 nm pump pulse, the terahertz conductivity increases due to absorption by the photoinduced charge carriers. The relaxation of the non-equilibrium carriers shows fast as well as slow decay channels, analyzed using a rate equation model incorporating defect-assisted Auger scattering of photoexcited electrons, holes, and excitons. The fast relaxation time occurs due to the capture of electrons and holes by defects via Auger processes, resulting in nonradiative recombination. The slower relaxation arises since the excitons are bound to the defects, preventing the defect-assisted Auger recombination of the electrons and the holes. Our results provide a comprehensive understanding of the non-equilibrium carrier kinetics in a system of unscreened Coulomb interactions, where defect-assisted Auger processes dominate and should be applicable to other 2D systems.

A transmission-grating-modulated pump-probe absorption spectroscopy and demonstration of diffusion dynamics of photoexcited carriers in bulk intrinsic GaAs film.

PubMed

Chen, Ke; Wang, Wenfang; Chen, Jianming; Wen, Jinhui; Lai, Tianshu

2012-02-13

A transmission-grating-modulated time-resolved pump-probe absorption spectroscopy is developed and formularized. The spectroscopy combines normal time-resolved pump-probe absorption spectroscopy with a binary transmission grating, is sensitive to the spatiotemporal evolution of photoinjected carriers, and has extensive applicability in the study of diffusion transport dynamics of photoinjected carriers. This spectroscopy has many advantages over reported optical methods to measure diffusion dynamics, such as simple experimental setup and operation, and high detection sensitivity. The measurement of diffusion dynamics is demonstrated on bulk intrinsic GaAs films. A carrier density dependence of carrier diffusion coefficient is obtained and agrees well with reported results.

Carrier providers or killers: The case of Cu defects in CdTe

DOE PAGES

Yang, Ji -Hui; Metzger, Wyatt K.; Wei, Su -Huai

2017-07-24

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in CdTe as an example, we show that relatively shallow defects can play both roles. Using first-principles calculation methods combined with thermodynamic simulations, we study the dialectic effects of Cu-related defects on hole density and lifetime in bulk CdTe. Because CuCd can form a relatively shallow acceptor, we find that increased Cu incorporation into CdTe indeed can help achieve high hole density; however, too much Cumore » can cause significant non-radiative recombination. We discuss strategies to balance the contradictory effects of Cu defects based on the calculated impact of Cd chemical potential, copper defect concentrations, and annealing temperature on lifetime and hole density. Lastly, these findings advance the understanding of the potential complex defect behaviors of relatively shallow defect states in semiconductors.« less

Carrier providers or killers: The case of Cu defects in CdTe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ji -Hui; Metzger, Wyatt K.; Wei, Su -Huai

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in CdTe as an example, we show that relatively shallow defects can play both roles. Using first-principles calculation methods combined with thermodynamic simulations, we study the dialectic effects of Cu-related defects on hole density and lifetime in bulk CdTe. Because CuCd can form a relatively shallow acceptor, we find that increased Cu incorporation into CdTe indeed can help achieve high hole density; however, too much Cumore » can cause significant non-radiative recombination. We discuss strategies to balance the contradictory effects of Cu defects based on the calculated impact of Cd chemical potential, copper defect concentrations, and annealing temperature on lifetime and hole density. Lastly, these findings advance the understanding of the potential complex defect behaviors of relatively shallow defect states in semiconductors.« less

Point defect induced degradation of electrical properties of Ga2O3 by 10 MeV proton damage

NASA Astrophysics Data System (ADS)

Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.; Yakimov, E. B.; Yang, Jiancheng; Ren, F.; Yang, Gwangseok; Kim, Jihyun; Kuramata, A.; Pearton, S. J.

2018-01-01

Deep electron and hole traps in 10 MeV proton irradiated high-quality β-Ga2O3 films grown by Hydride Vapor Phase Epitaxy (HVPE) on bulk β-Ga2O3 substrates were measured by deep level transient spectroscopy with electrical and optical injection, capacitance-voltage profiling in the dark and under monochromatic irradiation, and also electron beam induced current. Proton irradiation caused the diffusion length of charge carriers to decrease from 350-380 μm in unirradiated samples to 190 μm for a fluence of 1014 cm-2, and this was correlated with an increase in density of hole traps with optical ionization threshold energy near 2.3 eV. These defects most likely determine the recombination lifetime in HVPE β-Ga2O3 epilayers. Electron traps at Ec-0.75 eV and Ec-1.2 eV present in as-grown samples increase in the concentration after irradiation and suggest that these centers involve native point defects.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lopez-Bezanilla, Alejandro

By means of a multi-scale first-principles approach, a description of the local electronic structure of 2D and narrow phosphorene sheets with various types of modifications is presented. Firtly, a rational argument based on the geometry of the pristine and modified P network, and supported by the Wannier functions formalism is introduced to describe a hybridization model of the P atomic orbitals. Ab initio calculations show that non-isoelectronic foreign atoms form quasi-bound states at varying energy levels and create different polarization states depending on the number of valence electrons between P and the doping atom. The quantum transport properties of modifiedmore » phosphorene ribbons are further described with great accuracy. The distortions on the electronic bands induced by the external species lead to strong backscattering effects on the propagating charge carriers. Depending on the energy of the charge carrier and the type of doping, the conduction may range from the diffusive to the localized regime. Interstitial defects at vacant sites lead to homogeneous transport fingerprints across different types of doping atoms. We suggest that the relatively low values of charge mobility reported in experimental measurements may have its origin in the presence of defects.« less

Metastable defect response in CZTSSe from admittance spectroscopy

DOE PAGES

Koeper, Mark J.; Hages, Charles J.; Li, Jian V.; ...

2017-10-02

Admittance spectroscopy is a useful tool used to study defects in semiconductor materials. However, metastable defect responses in non-ideal semiconductors can greatly impact the measurement and therefore the interpretation of results. Here, admittance spectroscopy was performed on Cu2ZnSn(S,Se) 4 where metastable defect response is illustrated due to the trapping of injected carriers into a deep defect state. To investigate the metastable response, admittance measurements were performed under electrically and optically relaxed conditions in comparison to a device following a low level carrier-injection pretreatment. The relaxed measurement demonstrates a single capacitance signature while two capacitance signatures are observed for the devicemore » measured following carrier-injection. The deeper level signature, typically reported for kesterites, is activated by charge trapping following carrier injection. Both signatures are attributed to bulk level defects. The significant metastable response observed on kesterites due to charge trapping obscures accurate interpretation of defect levels from admittance spectroscopy and indicates that great care must be taken when performing and interpreting this measurement on non-ideal devices.« less

TOPICAL REVIEW: The doping process and dopant characteristics of GaN

NASA Astrophysics Data System (ADS)

Sheu, J. K.; Chi, G. C.

2002-06-01

The characteristic effects of doping with impurities such as Si, Ge, Se, O, Mg, Be, and Zn on the electrical and optical properties of GaN-based materials are reviewed. In addition, the roles of unintentionally introduced impurities, such as C, H, and O, and grown-in defects, such as vacancy and antisite point defects, are also discussed. The doping process during epitaxial growth of GaN, AlGaN, InGaN, and their superlattice structures is described. Doping using the diffusion process and ion implantation techniques is also discussed. A p-n junction formed by Si implantation into p-type GaN is successfully fabricated. The results on crystal structure, electrical resistivity, carrier mobility, and optical spectra obtained by means of x-rays, low-temperature Hall measurements, and photoluminescence are also discussed.

Characterization of Local Carrier Dynamics in AlN and AlGaN Films using High Spatial- and Time-resolution Cathodoluminescence Spectroscopy

DTIC Science & Technology

2012-10-12

21/2012 Abstract: In order to assess the impacts of structural and point defects on the local carrier (exciton) recombination dynamics in...quantitatively understood as functions of structural / point defect and impurity concentrations (crystal imperfections). However, only few papers [5...NOTES 14. ABSTRACT In order to assess the impacts of structural and point defects on the local carrier (exciton) recombination dynamics in wide bandgap

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

DOE PAGES

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio; ...

2017-11-14

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 10 4 cm -2), localized areas with a defect density > 10 5 cm -2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stackingmore » faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. In conclusion, the impact of the defects on material performance and substrate re-use is also discussed.« less

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 10 4 cm -2), localized areas with a defect density > 10 5 cm -2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stackingmore » faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. In conclusion, the impact of the defects on material performance and substrate re-use is also discussed.« less

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

NASA Astrophysics Data System (ADS)

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio; Jensen, Mallory Ann; Morishige, Ashley E.; Lai, Barry; Hao, Ruiying; Ravi, T. S.; Buonassisi, Tonio

2018-02-01

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 104 cm-2), localized areas with a defect density > 105 cm-2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stacking faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. The impact of the defects on material performance and substrate re-use is also discussed.

Hole Polaron Diffusion in the Final Discharge Product of Lithium–Sulfur Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zhixiao; Balbuena, Perla B.; Mukherjee, Partha P.

Poor electronic conductivity of bulk lithium sulfide (Li 2S) is a critical challenge for the debilitating performance of the lithium–sulfur battery. In this study we focus on investigating the thermodynamic and kinetic properties of native defects in Li 2S based on a first-principles approach. It is found that the hole polaron p + can form in Li 2S by removing a 3p electron from an S 2– anion. The p + diffusion barrier is only 90 meV, which is much lower than the Li vacancy (V Li –) diffusion barrier. Hence p + has the potential to serve as amore » charge carrier in the discharge product. Once the vacancy–polaron complex (V Li -––2p +) forms, the charge transport will be hindered due to the relatively higher diffusion barrier of the complex. Heteroatom dopants, which can decrease the p + formation energy and increase V Li – formation energy, are expected to be introduced to the discharge product to improve the electronic conductivity.« less

Hole Polaron Diffusion in the Final Discharge Product of Lithium–Sulfur Batteries

DOE PAGES

Liu, Zhixiao; Balbuena, Perla B.; Mukherjee, Partha P.

2017-07-24

Poor electronic conductivity of bulk lithium sulfide (Li 2S) is a critical challenge for the debilitating performance of the lithium–sulfur battery. In this study we focus on investigating the thermodynamic and kinetic properties of native defects in Li 2S based on a first-principles approach. It is found that the hole polaron p + can form in Li 2S by removing a 3p electron from an S 2– anion. The p + diffusion barrier is only 90 meV, which is much lower than the Li vacancy (V Li –) diffusion barrier. Hence p + has the potential to serve as amore » charge carrier in the discharge product. Once the vacancy–polaron complex (V Li -––2p +) forms, the charge transport will be hindered due to the relatively higher diffusion barrier of the complex. Heteroatom dopants, which can decrease the p + formation energy and increase V Li – formation energy, are expected to be introduced to the discharge product to improve the electronic conductivity.« less

Kinetic energy dependence of carrier diffusion in a GaAs epilayer studied by wavelength selective PL imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, S.; Su, L. Q.; Kon, J.

Photoluminescence (PL) imaging has been shown to be an efficient technique for investigating carrier diffusion in semiconductors. In the past, the measurement was typically carried out by measuring at one wavelength (e.g., at the band gap) or simply the whole emission band. At room temperature in a semiconductor like GaAs, the band-to-band PL emission may occur in a spectral range over 200 meV, vastly exceeding the average thermal energy of about 26 meV. To investigate the potential dependence of the carrier diffusion on the carrier kinetic energy, we performed wavelength selective PL imaging on a GaAs double hetero-structure in amore » spectral range from about 70 meV above to 50 meV below the bandgap, extracting the carrier diffusion lengths at different PL wavelengths by fitting the imaging data to a theoretical model. The results clearly show that the locally generated carriers of different kinetic energies mostly diffuse together, maintaining the same thermal distribution throughout the diffusion process. Potential effects related to carrier density, self-absorption, lateral wave-guiding, and local heating are also discussed.« less

First-principles study of defects in TlBr

NASA Astrophysics Data System (ADS)

Du, Mao-Hua

2010-03-01

TlBr is a promising radiation detection material due to its high gamma-ray stopping efficiency, high resistivity (that reduces dark current and noise), large enough band gap of 2.68 eV (suitable for room temperature applications), and long electron carrier lifetime (for efficient collection of the radiation-generated carriers). The defect properties obtained from density functional calculations will be presented to discuss their roles in carrier trapping and recombination (which affects the carrier lifetime) and carrier compensation (which affects the resistivity).

A detailed study of the photo-injection annealing of thermally diffused InP solar cells

NASA Technical Reports Server (NTRS)

Walters, R. J.; Summers, G. P.; Bruening, J.

1993-01-01

A detailed analysis of the annealing of thermally diffused InP solar cells fabricated by the Nippon Mining Co. is presented. The cells were irradiated with 1 MeV electrons, and the induced degradation is measured using deep level transient spectroscopy and low temperature (86 K) IV measurements. Clear recovery of the photovoltaic parameters is observed during low temperature (T is less than 300 K) solar illuminations (1 sun, AMO) with further recovery at higher temperatures (300 less than T less than 500 K). For example, the output of a cell which was irradiated up to a fluence of 1 x 10(exp 16) cm(sup -2) was observed to recover to within 5 percent of the pre-irradiation output. An apparent correlation between the recovery of I(sub sc) and the annealing of the H4 defect and of the minority carrier trapping centers is observed. An apparent correlation between the recovery of VO, and the annealing of the H5 defect is also observed. These apparent correlations are used to develop a possible model for the mechanism of the recovery of the solar cells.

Ultrafast carrier dynamics in a GaN/Al 0.18Ga0.82N superlattice

NASA Astrophysics Data System (ADS)

Mahler, Felix; Tomm, Jens W.; Reimann, Klaus; Woerner, Michael; Elsaesser, Thomas; Flytzanis, Christos; Hoffmann, Veit; Weyers, Markus

2018-04-01

Relaxation processes of photoexcited carriers in a GaN /Al0.18Ga0.82N superlattice are studied in femtosecond spectrally resolved reflectivity measurements at ambient temperature. The transient reflectivity reveals electron trapping into defect states close to the conduction-band minimum with a 150-200 fs time constant, followed by few-picosecond carrier cooling. A second slower trapping process into a different manifold of defect states is observed on a time scale of approximately 10 ps. Our results establish the prominent role of structural defects and disorder for ultrafast carrier dynamics in nitride semiconductor structures.

Hall mobility in multicrystalline silicon

NASA Astrophysics Data System (ADS)

Schindler, F.; Geilker, J.; Kwapil, W.; Warta, W.; Schubert, M. C.

2011-08-01

Knowledge of the carrier mobility in silicon is of utmost importance for photovoltaic applications, as it directly influences the diffusion length and thereby the cell efficiency. Moreover, its value is needed for a correct quantitative evaluation of a variety of lifetime measurements. However, models that describe the carrier mobility in silicon are based on theoretical calculations or fits to experimental data in monocrystalline silicon. Multicrystalline (mc) silicon features crystal defects such as dislocations and grain boundaries, with the latter possibly leading to potential barriers through the trapping of charge carriers and thereby influencing the mobility, as shown, for example, by Maruska et al. [Appl. Phys. Lett. 36, 381 (1980)]. To quantify the mobilities in multicrystalline silicon, we performed Hall measurements in p-type mc-Si samples of various resistivities and different crystal structures and compared the data to majority carrier Hall mobilities in p-type monocrystalline floatzone (FZ) silicon. For lack of a model that provides reliable values of the Hall mobility in silicon, an empirical fit similar to existing models for conductivity mobilities is proposed based on Hall measurements of monocrystalline p-type FZ silicon. By comparing the measured Hall mobilities obtained from mc silicon with the corresponding Hall mobilities in monocrystalline silicon of the same resistivity, we found that the mobility reduction due to the presence of crystal defects in mc-Si ranges between 0% and 5% only. Mobility decreases of up to 30% as reported by Peter et al. [Proceedings of the 23rd European Photovoltaic Solar Energy Conference, Valencia, Spain, 1-5 September 2008], or even of a factor of 2 to 3 as detected by Palais et al. [Mater. Sci. Eng. B 102, 184 (2003)], in multicrystalline silicon were not observed.

Subclinical Lung Disease, Macrocytosis, and Premature Graying in Kindreds With Telomerase (TERT) Mutations

PubMed Central

Diaz de Leon, Alberto; Cronkhite, Jennifer T.; Yilmaz, Cuneyt; Brewington, Cecelia; Wang, Richard; Xing, Chao; Hsia, Connie C. W.

2011-01-01

Background: Mutations in the human gene encoding the protein component of telomerase (TERT) are the most common genetic defect in patients with familial idiopathic pulmonary fibrosis (IPF). The subclinical phenotypes of asymptomatic members of these families have not been evaluated with respect to TERT mutation status or telomere length. Methods: We measured a variety of pulmonary, blood, skin, and bone parameters for 20 subjects with heterozygous TERT mutations (carriers) and 20 family members who had not inherited a TERT mutation (noncarriers) to identify the spectrum of phenotypes associated with mutations in this gene. The two groups were matched for sex, age, and cigarette smoking. Three TERT mutation carriers had IPF (IPF carriers). The rest of the carriers were apparently healthy (asymptomatic carriers) and were compared with the noncarriers. Results: Asymptomatic carriers exhibited significantly lower diffusing capacity of lung for carbon monoxide (Dlco), impaired recruitment of Dlco with exercise, radiographic signs of lung fibrosis, and increased fractional lung tissue volume quantified by high-resolution chest CT scan than noncarriers. RBC and platelet counts were significantly lower, and the mean corpuscular volume and mean corpuscular hemoglobin concentration were significantly higher in carriers than in noncarriers. Carriers reported significantly earlier graying of hair than noncarriers. TERT mutation status is more accurately predicted by short telomere lengths than any of these measured phenotypes. Conclusions: TERT mutation carriers exhibit early preclinical signs of lung fibrosis, bone marrow dysfunction, and premature graying. These clinical features and short telomere lengths characterize patients with germline TERT mutations. PMID:21349926

Static and Dynamic Effects of Lateral Carrier Diffusion in Semiconductor Lasers

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.; Biegel, Bryan A. (Technical Monitor)

2002-01-01

Electron and hole diffusions in the plane of semiconductor quantum wells play an important part in the static and dynamic operations of semiconductor lasers. It is well known that the value of diffusion coefficients affects the threshold pumping current of a semiconductor laser. At the same time, the strength of carrier diffusion process is expected to affect the modulation bandwidth of an AC-modulated laser. It is important not only to investigate the combined DC and AC effects due to carrier diffusion, but also to separate the AC effects from that of the combined effects in order to provide design insights for high speed modulation. In this presentation, we apply a hydrodynamic model developed by the present authors recently from the semiconductor Bloch equations. The model allows microscopic calculation of the lateral carrier diffusion coefficient, which is a nonlinear function of the carrier density and plasma temperature. We first studied combined AC and DC effects of lateral carrier diffusion by studying the bandwidth dependence on diffusion coefficient at a given DC current under small signal modulation. The results show an increase of modulation bandwidth with decrease in the diffusion coefficient. We simultaneously studied the effects of nonlinearity in the diffusion coefficient. To clearly identify how much of the bandwidth increase is a result of decrease in the threshold pumping current for smaller diffusion coefficient, thus an effective increase of DC pumping, we study the bandwidth dependence on diffusion coefficient at a given relative pumping. A detailed comparison of the two cases will be presented.

Temperature dependence of carrier capture by defects in gallium arsenide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wampler, William R.; Modine, Normand A.

2015-08-01

This report examines the temperature dependence of the capture rate of carriers by defects in gallium arsenide and compares two previously published theoretical treatments of this based on multi phonon emission (MPE). The objective is to reduce uncertainty in atomistic simulations of gain degradation in III-V HBTs from neutron irradiation. A major source of uncertainty in those simulations is poor knowledge of carrier capture rates, whose values can differ by several orders of magnitude between various defect types. Most of this variation is due to different dependence on temperature, which is closely related to the relaxation of the defect structuremore » that occurs as a result of the change in charge state of the defect. The uncertainty in capture rate can therefore be greatly reduced by better knowledge of the defect relaxation.« less

Observation of lower defect density in CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cells by admittance spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Minlin; Lan, Fei; Tao, Quan

The introduction of Cl into CH{sub 3}NH{sub 3}PbI{sub 3} precursors is reported to enhance the performance of CH{sub 3}NH{sub 3}PbI{sub 3} solar cell, which is attributed to the significantly increased diffusion lengths of carriers in CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell. It has been assumed but never experimentally approved that the defect density in CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell should be reduced according to the higher carrier lifetime observed from photoluminescence (PL) measurement. We have fabricated CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell by adding a small amount of Cl source into CH{sub 3}NH{sub 3}PbI{sub 3} precursor. The performance ofmore » CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell is significantly improved from 15.39% to 18.60%. Results from scanning electron microscopy and X-ray diffraction indicate that the morphologies and crystal structures of CH{sub 3}NH{sub 3}PbI{sub 3} and CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} thin films remain unchanged. Open circuit voltage decay and admittance spectroscopy characterization jointly approve that Cl plays an extremely important role in suppressing the formation of defects in perovskite solar cells.« less

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

NASA Astrophysics Data System (ADS)

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas; Kuciauskas, Darius; Lynn, Kelvin G.; Swain, Santosh K.; JarašiÅ«nas, Kestutis

2018-01-01

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime τ decreased from 670 ± 50 ns to 60 ± 10 ns with increase of excess carrier density N from 1016 to 5 × 1018 cm-3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 μm to 6 μm due to lifetime decrease. Modeling of in-depth (axial) and in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 × 105 cm/s for the untreated surface. At even higher excitations, in the 1019-3 × 1020 cm-3 density range, D increase from 5 to 20 cm2/s due to carrier degeneracy was observed.

Theory and Simulation of Self- and Mutual-Diffusion of Carrier Density and Temperature in Semiconductor Lasers

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.

2001-01-01

Carrier diffusion and thermal conduction play a fundamental role in the operation of high-power, broad-area semiconductor lasers. Restricted geometry, high pumping level and dynamic instability lead to inhomogeneous spatial distribution of plasma density, temperature, as well as light field, due to strong light-matter interaction. Thus, modeling and simulation of such optoelectronic devices rely on detailed descriptions of carrier dynamics and energy transport in the system. A self-consistent description of lasing and heating in large-aperture, inhomogeneous edge- or surface-emitting lasers (VCSELs) require coupled diffusion equations for carrier density and temperature. In this paper, we derive such equations from the Boltzmann transport equation for the carrier distributions. The derived self- and mutual-diffusion coefficients are in general nonlinear functions of carrier density and temperature including many-body interactions. We study the effects of many-body interactions on these coefficients, as well as the nonlinearity of these coefficients for large-area VCSELs. The effects of mutual diffusions on carrier and temperature distributions in gain-guided VCSELs will be also presented.

Advanced methods for preparation and characterization of infrared detector materials

NASA Technical Reports Server (NTRS)

Broerman, J. G.; Morris, B. J.; Meschter, P. J.

1983-01-01

Crystals were prepared by the Bridgman-Stockbarger method with a wide range of crystal growth rates and temperature gradients adequate to prevent constitutional supercooling under diffusion-limited, steady-state, growth conditions. The longitudinal compositional gradients for different growth conditions and alloy compositions were calculated and compared with experimental data to develop a quantitative model of solute redistribution during the crystal growth of the alloys. Measurements were performed to ascertain the effect of growth conditions on radial compositional gradients. The pseudobinary HgTe-CdTe constitutional phase diagram was determined by precision differential-thermal-analysis measurements and used to calculate the segregation coefficient of Cd as a function of x and interface temperature. Experiments were conducted to determine the ternary phase equilibria in selected regions of the Hg-Cd-Te constitutional phase diagram. Electron and hole mobilities as functions of temperature were analyzed to establish charge-carrier scattering probabilities. Computer algorithms specific to Hg(1-x)CdxTe were developed for calculations of the charge-carrier concentration, charge-carrier mobilities, Hall coefficient, and Dermi Fermi energy as functions of x, temperature, ionized donor and acceptor concentrations, and neutral defect concentrations.

Recombination driven vacancy motion - a mechanism of memristive switching in oxides

NASA Astrophysics Data System (ADS)

Shen, Xiao; Puzyrev, Yevgeniy S.; Pantelides, Sokrates T.

2014-03-01

Wide-band gap oxides with high O deficiencies are attractive memristive materials for applications. However, the details of the defect dynamics remain elusive, especially regarding what drives the defect motion to form the conducting state. While the external field is often cited as the driving force, we report an investigation of memristive switching in polycrystalline ZnO and propose a new mechanism. Using results from density functional theory calculations, we show that the motion of O vacancies during switching to the conductive state is not driven by the electric field, but by recombination of carriers at these vacancies, which transfers energy to the defects and greatly enhances their diffusion. Such mechanism originates from the large structural change of O vacancies upon capturing electrons. In addition, contrary to the hypothesis that memristive switching in polycrystalline materials is facilitated by the defect motion along the grain boundary (GB), we show in our system the vacancies move perpendicular to the GB, attaching and detaching from it during the switching process. We call it recombination driven vacancy breathing. This work is supported by NSF Grant DMR-1207241 and NSF XSEDE grant DMR-130121.

Super-diffusion of excited carriers in semiconductors

PubMed Central

Najafi, Ebrahim; Ivanov, Vsevolod; Zewail, Ahmed; Bernardi, Marco

2017-01-01

The ultrafast spatial and temporal dynamics of excited carriers are important to understanding the response of materials to laser pulses. Here we use scanning ultrafast electron microscopy to image the dynamics of electrons and holes in silicon after excitation with a short laser pulse. We find that the carriers exhibit a diffusive dynamics at times shorter than 200 ps, with a transient diffusivity up to 1,000 times higher than the room temperature value, D0≈30 cm2s−1. The diffusivity then decreases rapidly, reaching a value of D0 roughly 500 ps after the excitation pulse. We attribute the transient super-diffusive behaviour to the rapid expansion of the excited carrier gas, which equilibrates with the environment in 100−150 ps. Numerical solution of the diffusion equation, as well as ab initio calculations, support our interpretation. Our findings provide new insight into the ultrafast spatial dynamics of excited carriers in materials. PMID:28492283

Optical spectroscopy and photo modification of individual single-photon emitters in hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Jayakumar, Harishankar; Shotan, Zav; Considine, Christopher; Mazkoit, Mažena; Fedder, Helmut; Wrachtrup, Joerg; Alkauskas, Audrius; Doherty, Marcus; Menon, Vinod; Meriles, Carlos

Fluorescent defects recently observed under ambient conditions in hexagonal boron nitride (h-BN) promise to open novel opportunities for the implementation of on-chip photonic devices that rely on identical photons from single emitters. Here we report on the room temperature photo-luminescence dynamics of individual emitters in multilayer h-BN flakes exposed to blue laser light. Comparison of optical spectra recorded at successive times reveals considerable spectral diffusion, possibly the result of slowly fluctuating, trapped-carrier-induced stark shifts. Large spectral jumps - reaching up to 100 nm - followed by bleaching are observed in most cases upon prolonged exposure to blue light, an indication of one-directional, photo-chemical changes likely taking place on the flake surface. Remarkably, only a fraction of the observed emitters also fluoresces on green illumination suggesting a more complex optical excitation dynamics than previously anticipated and raising questions on the physical nature of the atomic defect at play.

Passive lipoidal diffusion and carrier-mediated cell uptake are both important mechanisms of membrane permeation in drug disposition.

PubMed

Smith, Dennis; Artursson, Per; Avdeef, Alex; Di, Li; Ecker, Gerhard F; Faller, Bernard; Houston, J Brian; Kansy, Manfred; Kerns, Edward H; Krämer, Stefanie D; Lennernäs, Hans; van de Waterbeemd, Han; Sugano, Kiyohiko; Testa, Bernard

2014-06-02

Recently, it has been proposed that drug permeation is essentially carrier-mediated only and that passive lipoidal diffusion is negligible. This opposes the prevailing hypothesis of drug permeation through biological membranes, which integrates the contribution of multiple permeation mechanisms, including both carrier-mediated and passive lipoidal diffusion, depending on the compound's properties, membrane properties, and solution properties. The prevailing hypothesis of drug permeation continues to be successful for application and prediction in drug development. Proponents of the carrier-mediated only concept argue against passive lipoidal diffusion. However, the arguments are not supported by broad pharmaceutics literature. The carrier-mediated only concept lacks substantial supporting evidence and successful applications in drug development.

Surface photovoltage method extended to silicon solar cell junction

NASA Technical Reports Server (NTRS)

Wang, E. Y.; Baraona, C. R.; Brandhorst, H. W., Jr.

1974-01-01

The conventional surface photovoltage (SPV) method is extended to the measurement of the minority carrier diffusion length in diffused semiconductor junctions of the type used in a silicon solar cell. The minority carrier diffusion values obtained by the SPV method agree well with those obtained by the X-ray method. Agreement within experimental error is also obtained between the minority carrier diffusion lengths in solar cell diffusion junctions and in the same materials with n-regions removed by etching, when the SPV method was used in the measurements.

Ultrafast carrier dynamics in band edge and broad deep defect emission ZnSe nanowires

NASA Astrophysics Data System (ADS)

Othonos, Andreas; Lioudakis, Emmanouil; Philipose, U.; Ruda, Harry E.

2007-12-01

Ultrafast carrier dynamics of ZnSe nanowires grown under different growth conditions have been studied. Transient absorption measurements reveal the dependence of the competing effects of state filling and photoinduced absorption on the probed energy states. The relaxation of the photogenerated carriers occupying defect states in the stoichiometric and Se-rich samples are single exponentials with time constants of 3-4ps. State filling is the main contribution for probe energies below 1.85eV in the Zn-rich grown sample. This ultrafast carrier dynamics study provides an important insight into the role that intrinsic point defects play in the observed photoluminescence from ZnSe nanowires.

Transforming Growth Factor-β1 Accelerates Resorption of a Calcium Carbonate Biomaterial in Periodontal Defects.

PubMed

Koo, Ki-Tae; Susin, Cristiano; Wikesjö, Ulf M E; Choi, Seong-Ho; Kim, Chong-Kwan

2007-04-01

In a previous study, recombinant human transforming growth factor-beta1 (rhTGF-β 1 ) in a calcium carbonate carrier was implanted into critical-size, supraalveolar periodontal defects under conditions for guided tissue regeneration (GTR) to study whether rhTGF-β 1 would enhance or accelerate periodontal regeneration. The results showed minimal benefits of rhTGF-β 1 , and a clear account for this could not be offered. One potential cause may be that the rhTGF-β 1 formulation was biologically inactive. Several growth or differentiation factors have been suggested to accelerate degradation of biomaterials used as carriers. The objective of this study was to evaluate possible activity of rhTGF-β 1 on biodegradation of the calcium carbonate carrier. rhTGF-β 1 in a putty-formulated particulate calcium carbonate carrier was implanted into critical-size, supraalveolar periodontal defects under conditions for GTR in five beagle dogs. Contralateral defects received the calcium carbonate carrier combined with GTR without rhTGF-β 1 (control). The animals were euthanized at week 4 post-surgery and block biopsies of the defect sites were collected for histologic and histometric analysis. Radiographs were obtained at defect creation and weeks 2 and 4 after defect creation. No statistically significant differences were observed in new bone formation (bone height and area) among the treatments. However, total residual carrier was significantly reduced in sites receiving rhTGF-β 1 compared to control (P = 0.04). Similarly, carrier density was considerably reduced in sites receiving rhTGF-β 1 compared to control; the difference was borderline statistically significant (P = 0.06). Within the limitations of the study, it may be concluded that rhTGF-β 1 accelerates biodegradation of a particulate calcium carbonate biomaterial, indicating a biologic activity of the rhTGF-β 1 formulation apparently not encompassing enhanced or accelerated periodontal regeneration. © 2007 American Academy of Periodontology.

Transforming growth factor-beta1 accelerates resorption of a calcium carbonate biomaterial in periodontal defects.

PubMed

Koo, Ki-Tae; Susin, Cristiano; Wikesjö, Ulf M E; Choi, Seong-Ho; Kim, Chong-Kwan

2007-04-01

In a previous study, recombinant human transforming growth factor-beta1 (rhTGF-beta(1)) in a calcium carbonate carrier was implanted into critical-size, supraalveolar periodontal defects under conditions for guided tissue regeneration (GTR) to study whether rhTGF-beta(1) would enhance or accelerate periodontal regeneration. The results showed minimal benefits of rhTGF-beta(1), and a clear account for this could not be offered. One potential cause may be that the rhTGF-beta(1) formulation was biologically inactive. Several growth or differentiation factors have been suggested to accelerate degradation of biomaterials used as carriers. The objective of this study was to evaluate possible activity of rhTGF-beta(1) on biodegradation of the calcium carbonate carrier. rhTGF-beta(1) in a putty-formulated particulate calcium carbonate carrier was implanted into critical-size, supraalveolar periodontal defects under conditions for GTR in five beagle dogs. Contralateral defects received the calcium carbonate carrier combined with GTR without rhTGF-beta(1) (control). The animals were euthanized at week 4 post-surgery and block biopsies of the defect sites were collected for histologic and histometric analysis. Radiographs were obtained at defect creation and weeks 2 and 4 after defect creation. No statistically significant differences were observed in new bone formation (bone height and area) among the treatments. However, total residual carrier was significantly reduced in sites receiving rhTGF-beta(1) compared to control (P = 0.04). Similarly, carrier density was considerably reduced in sites receiving rhTGF-beta(1) compared to control; the difference was borderline statistically significant (P = 0.06). Within the limitations of the study, it may be concluded that rhTGF-beta(1) accelerates biodegradation of a particulate calcium carbonate biomaterial, indicating a biologic activity of the rhTGF-beta(1) formulation apparently not encompassing enhanced or accelerated periodontal regeneration.

Observation of silicon self-diffusion enhanced by the strain originated from end-of-range defects using isotope multilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isoda, Taiga; Uematsu, Masashi; Itoh, Kohei M., E-mail: kitoh@appi.keio.ac.jp

2015-09-21

Si self-diffusion in the presence of end-of-range (EOR) defects is investigated using {sup nat}Si/{sup 28}Si isotope multilayers. The isotope multilayers were amorphized by Ge ion implantation, and then annealed at 800–950 °C. The behavior of Si self-interstitials is investigated through the {sup 30}Si self-diffusion. The experimental {sup 30}Si profiles show further enhancement of Si self-diffusion at the EOR defect region, in addition to the transient enhanced diffusion via excess Si self-interstitials by EOR defects. To explain this additional enhanced diffusion, we propose a model which takes into account enhanced diffusion by tensile strain originated from EOR defects. The calculation results basedmore » on this model have well reproduced the experimental {sup 30}Si profiles.« less

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime t decreased from 670 +/-50 ns to 60 +/- 10 ns with increase of excess carrier density N from 10 16 to 5 x 10 18cm -3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 um to 6 um due to lifetime decrease. Modeling of in-depth (axial) andmore » in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 x 10 5 cm/s for the untreated surface. At even higher excitations, in the 10 19-3 x 10 20 cm -3 density range, D increase from 5 to 20 cm^2/s due to carrier degeneracy was observed.« less

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

DOE PAGES

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas; ...

2018-01-14

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime t decreased from 670 +/-50 ns to 60 +/- 10 ns with increase of excess carrier density N from 10 16 to 5 x 10 18cm -3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 um to 6 um due to lifetime decrease. Modeling of in-depth (axial) andmore » in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 x 10 5 cm/s for the untreated surface. At even higher excitations, in the 10 19-3 x 10 20 cm -3 density range, D increase from 5 to 20 cm^2/s due to carrier degeneracy was observed.« less

No differences in brain microstructure between young KIBRA-C carriers and non-carriers.

PubMed

Hu, Li; Xu, Qunxing; Li, Jizhen; Wang, Feifei; Xu, Xinghua; Sun, Zhiyuan; Ma, Xiangxing; Liu, Yong; Wang, Qing; Wang, Dawei

2018-01-02

KIBRA rs17070145 polymorphism is associated with variations in memory function and the microstructure of related brain areas. Diffusion kurtosis imaging (DKI) as an extension of diffusion tensor imaging that can provide more information about changes in microstructure, based on the idea that water diffusion in biological tissues is heterogeneous due to structural hindrance and restriction. We used DKI to explore the relationship between KIBRA gene polymorphism and brain microstructure in young adults. We recruited 100 healthy young volunteers, including 53 TT carriers and 47 C allele carriers. No differences were detected between the TT homozygotes and C-allele carriers for any diffusion and kurtosis parameter. These results indicate KIBRA rs17070145 polymorphism likely has little or no effect on brain microstructure in young adults.

Minority Carrier Electron Traps in CZTSSe Solar Cells Characterized by DLTS and DLOS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kheraj, V.; Lund, E. A.; Caruso, A. E.

2016-11-21

We report observations of minority carrier interactions with deep levels in 6-8% efficient Cu2ZnSn(S, Se)4 (CZTSSe) devices using conventional and minority deep level transient spectroscopy (DLTS) and deep level optical spectroscopy (DLOS). Directly observing defect interactions with minority carriers is critical to understanding the recombination impact of deep levels. In devices with Cu2ZnSn(S, Se)4 nanoparticle ink absorber layers we identify a mid-gap state capturing and emitting minority electrons. It is 590+/-50 meV from the conduction band mobility edge, has a concentration near 1015/cm3, and has an apparent electron capture cross section ~10-14 cm2. We conclude that, while energetically positioned nearly-ideallymore » to be a recombination center, these defects instead act as electron traps because of a smaller hole cross-section. In CZTSe devices produced using coevaporation, we used minority carrier DLTS on traditional samples as well as ones with transparent Ohmic back contacts. These experiments demonstrate methods for unambiguously probing minority carrier/defect interactions in solar cells in order to establish direct links between defect energy level observations and minority carrier lifetimes. Furthermore, we demonstrate the use of steady-state device simulation to aid in the interpretation of DLTS results e.g. to put bounds on the complimentary carrier cross section even in the absence its direct measurement. This combined experimental and theoretical approach establishes rigorous bounds on the impact on carrier lifetime and Voc of defects observed with DLTS as opposed to, for example, assuming that all deep states act as strong recombination centers.« less

Thermally ruggedized ITO transparent electrode films for high power optoelectronics.

PubMed

Yoo, Jae-Hyuck; Matthews, Manyalibo; Ramsey, Phil; Barrios, Antonio Correa; Carter, Austin; Lange, Andrew; Bude, Jeff; Elhadj, Selim

2017-10-16

We present two strategies to minimize laser damage in transparent conductive films. The first consists of improving heat dissipation by selection of substrates with high thermal diffusivity or by addition of capping layer heatsinks. The second is reduction of bulk energy absorption by lowering free carrier density and increasing mobility, while maintaining film conductance with thicker films. Multi-pulse laser damage tests were performed on tin-doped indium oxide (ITO) films configured to improve optical lifetime damage performance. Conditions where improvements were not observed are also described. When bulk heating is not the dominant damage process, discrete defect-induced damage limits damage behavior.

Investigation of Oxygen Diffusion in Irradiated UO2 with MD Simulation

NASA Astrophysics Data System (ADS)

Günay, Seçkin D.

2016-11-01

In this study, irradiated UO2 is analyzed by atomistic simulation method to obtain diffusion coefficient of oxygen ions. For this purpose, a couple of molecular dynamics (MD) supercells containing Frenkel, Schottky, vacancy and interstitial types for both anion and cation defects is constructed individually. Each of their contribution is used to calculate the total oxygen diffusion for both intrinsic and extrinsic ranges. The results display that irradiation-induced defects contribute the most to the overall oxygen diffusion at temperatures below 800-1,200 K. This result is quite sensible because experimental data shows that, from room temperature to about 1,500 K, irradiation-induced swelling decreases and irradiated UO2 lattice parameter is gradually recovered because defects annihilate each other. Another point is that, concentration of defects enhances the irradiation-induced oxygen diffusion. Irradiation type also has the similar effect, namely oxygen diffusion in crystals irradiated with α-particles is more than the crystals irradiated with neutrons. Dynamic Frenkel defects dominate the oxygen diffusion data above 1,500—1,800 K. In all these temperature ranges, thermally induced Frenkel defects make no significant contribution to overall oxygen diffusion.

Carrier-induced transient defect mechanism for non-radiative recombination in InGaN light-emitting devices

DOE PAGES

Bang, Junhyeok; Sun, Y. Y.; Song, Jung -Hoon; ...

2016-04-14

Non-radiative recombination (NRR) of excited carriers poses a serious challenge to optoelectronic device efficiency. Understanding the mechanism is thus crucial to defect physics and technological applications. Here, by using first-principles calculations, we propose a new NRR mechanism, where excited carriers recombine via a Frenkel-pair (FP) defect formation. While in the ground state the FP is high in energy and is unlikely to form, in the electronic excited states its formation is enabled by a strong electron-phonon coupling of the excited carriers. As a result, this NRR mechanism is expected to be general for wide-gap semiconductors, rather than being limited tomore » InGaN-based light emitting devices.« less

Charge Transport in Spiro-OMeTAD Investigated through Space-Charge-Limited Current Measurements

NASA Astrophysics Data System (ADS)

Röhr, Jason A.; Shi, Xingyuan; Haque, Saif A.; Kirchartz, Thomas; Nelson, Jenny

2018-04-01

Extracting charge-carrier mobilities for organic semiconductors from space-charge-limited conduction measurements is complicated in practice by nonideal factors such as trapping in defects and injection barriers. Here, we show that by allowing the bandlike charge-carrier mobility, trap characteristics, injection barrier heights, and the shunt resistance to vary in a multiple-trapping drift-diffusion model, a numerical fit can be obtained to the entire current density-voltage curve from experimental space-charge-limited current measurements on both symmetric and asymmetric 2 ,2',7 ,7' -tetrakis(N ,N -di-4-methoxyphenylamine)-9 ,9' -spirobifluorene (spiro-OMeTAD) single-carrier devices. This approach yields a bandlike mobility that is more than an order of magnitude higher than the effective mobility obtained using analytical approximations, such as the Mott-Gurney law and the moving-electrode equation. It is also shown that where these analytical approximations require a temperature-dependent effective mobility to achieve fits, the numerical model can yield a temperature-, electric-field-, and charge-carrier-density-independent mobility. Finally, we present an analytical model describing trap-limited current flow through a semiconductor in a symmetric single-carrier device. We compare the obtained charge-carrier mobility and trap characteristics from this analytical model to the results from the numerical model, showing excellent agreement. This work shows the importance of accounting for traps and injection barriers explicitly when analyzing current density-voltage curves from space-charge-limited current measurements.

Top and bottom surfaces limit carrier lifetime in lead iodide perovskite films

DOE PAGES

Yang, Ye; Yang, Mengjin; Moore, David T.; ...

2017-01-23

Carrier recombination at defects is detrimental to the performance of solar energy conversion systems, including solar cells and photoelectrochemical devices. Point defects are localized within the bulk crystal while extended defects occur at surfaces and grain boundaries. If not properly managed, surfaces can be a large source of carrier recombination. Separating surface carrier dynamics from bulk and/or grain-boundary recombination in thin films is challenging. Here, we employ transient reflection spectroscopy to measure the surface carrier dynamics in methylammonium lead iodide perovskite polycrystalline films. We find that surface recombination limits the total carrier lifetime in perovskite polycrystalline thin films, meaning thatmore » recombination inside grains and/or at grain boundaries is less important than top and bottom surface recombination. As a result, the surface recombination velocity in polycrystalline films is nearly an order of magnitude smaller than that in single crystals, possibly due to unintended surface passivation of the films during synthesis.« less

Deep vs shallow nature of oxygen vacancies and consequent n -type carrier concentrations in transparent conducting oxides

NASA Astrophysics Data System (ADS)

Buckeridge, J.; Catlow, C. R. A.; Farrow, M. R.; Logsdail, A. J.; Scanlon, D. O.; Keal, T. W.; Sherwood, P.; Woodley, S. M.; Sokol, A. A.; Walsh, A.

2018-05-01

The source of n -type conductivity in undoped transparent conducting oxides has been a topic of debate for several decades. The point defect of most interest in this respect is the oxygen vacancy, but there are many conflicting reports on the shallow versus deep nature of its related electronic states. Here, using a hybrid quantum mechanical/molecular mechanical embedded cluster approach, we have computed formation and ionization energies of oxygen vacancies in three representative transparent conducting oxides: In2O3 ,SnO2, and ZnO. We find that, in all three systems, oxygen vacancies form well-localized, compact donors. We demonstrate, however, that such compactness does not preclude the possibility of these states being shallow in nature, by considering the energetic balance between the vacancy binding electrons that are in localized orbitals or in effective-mass-like diffuse orbitals. Our results show that, thermodynamically, oxygen vacancies in bulk In2O3 introduce states above the conduction band minimum that contribute significantly to the observed conductivity properties of undoped samples. For ZnO and SnO2, the states are deep, and our calculated ionization energies agree well with thermochemical and optical experiments. Our computed equilibrium defect and carrier concentrations, however, demonstrate that these deep states may nevertheless lead to significant intrinsic n -type conductivity under reducing conditions at elevated temperatures. Our study indicates the importance of oxygen vacancies in relation to intrinsic carrier concentrations not only in In2O3 , but also in SnO2 and ZnO.

Determination of diffusion coefficient in disordered organic semiconductors

NASA Astrophysics Data System (ADS)

Rani, Varsha; Sharma, Akanksha; Ghosh, Subhasis

2016-05-01

Charge carrier transport in organic semiconductors is dominated by positional and energetic disorder in Gaussian density of states (GDOS) and is characterized by hopping through localized states. Due to the immobilization of charge carriers in these localized states, significant non-uniform carrier distribution exists, resulting diffusive transport. A simple, nevertheless powerful technique to determine diffusion coefficient D in disordered organic semiconductors has been presented. Diffusion coefficients of charge carriers in two technologically important organic molecular semiconductors, Pentacene and copper phthalocyanine (CuPc) have been measured from current-voltage (J-V) characteristics of Al/Pentacene/Au and Al/CuPc/Au based Schottky diodes. Ideality factor g and carrier mobility μ have been calculated from the exponential and space charge limited region respectively of J-V characteristics. Classical Einstein relation is not valid in organic semiconductors due to energetic disorders in DOS. Using generalized Einstein relation, diffusion coefficients have been obtained to be 1.31×10-6 and 1.73×10-7 cm2/s for Pentacene and CuPc respectively.

Gallium Phosphide Integrated with Silicon Heterojunction Solar Cells

NASA Astrophysics Data System (ADS)

Zhang, Chaomin

It has been a long-standing goal to epitaxially integrate III-V alloys with Si substrates which can enable low-cost microelectronic and optoelectronic systems. Among the III-V alloys, gallium phosphide (GaP) is a strong candidate, especially for solar cells applications. Gallium phosphide with small lattice mismatch ( 0.4%) to Si enables coherent/pseudomorphic epitaxial growth with little crystalline defect creation. The band offset between Si and GaP suggests that GaP can function as an electron-selective contact, and it has been theoretically shown that GaP/Si integrated solar cells have the potential to overcome the limitations of common a-Si based heterojunction (SHJ) solar cells. Despite the promising potential of GaP/Si heterojunction solar cells, there are two main obstacles to realize high performance photovoltaic devices from this structure. First, the growth of the polar material (GaP) on the non-polar material (Si) is a challenge in how to suppress the formation of structural defects, such as anti-phase domains (APD). Further, it is widely observed that the minority-carrier lifetime of the Si substrates is significantly decreased during epitaxially growth of GaP on Si. In this dissertation, two different GaP growth methods were compared and analyzed, including migration-enhanced epitaxy (MEE) and traditional molecular beam epitaxy (MBE). High quality GaP can be realized on precisely oriented (001) Si substrates by MBE growth, and the investigation of structural defect creation in the GaP/Si epitaxial structures was conducted using high resolution X-ray diffraction (HRXRD) and high resolution transmission electron microscopy (HRTEM). The mechanisms responsible for lifetime degradation were further investigated, and it was found that external fast diffusors are the origin for the degradation. Two practical approaches including the use of both a SiNx diffusion barrier layer and P-diffused layers, to suppress the Si minority-carrier lifetime degradation during GaP epitaxial growth on Si by MBE were proposed. To achieve high performance of GaP/Si solar cells, different GaP/Si structures were designed, fabricated and compared, including GaP as a hetero-emitter, GaP as a heterojunction on the rear side, inserting passivation membrane layers at the GaP/Si interface, and GaP/wet-oxide functioning as a passivation contact. A designed of a-Si free carrier-selective contact MoOx/Si/GaP solar cells demonstrated 14.1% power conversion efficiency.

Measurement of minority carrier diffusion lengths in GaAs nanowires by a nanoprobe technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Darbandi, A.; Watkins, S. P., E-mail: simonw@sfu.ca

Minority carrier diffusion lengths in both p-type and n-type GaAs nanowires were studied using electron beam induced current by means of a nanoprobe technique without lithographic processing. The diffusion lengths were determined for Au/GaAs rectifying junctions as well as axial p-n junctions. By incorporating a thin lattice-matched InGaP passivating shell, a 2-fold enhancement in the minority carrier diffusion lengths and one order of magnitude reduction in the surface recombination velocity were achieved.

Acoustically driven degradation in single crystalline silicon solar cell

NASA Astrophysics Data System (ADS)

Olikh, O. Ya.

2018-05-01

The influence of ultrasound on current-voltage characteristics of crystalline silicon solar sell was investigated experimentally. The transverse and longitudinal acoustic waves were used over a temperature range of 290-340 K. It was found that the ultrasound loading leads to the reversible decrease in the photogenerated current, open-circuit voltage, fill factor, carrier lifetime, and shunt resistance as well as the increase in the ideality factor. The experimental results were described by using the models of coupled defect level recombination, Shockley-Read-Hall recombination, and dislocation-induced impedance. The contribution of the boron-oxygen related defects, iron-boron pairs, and oxide precipitates to both the carrier recombination and acousto-defect interaction was discussed. The experimentally observed phenomena are associated with the increase in the distance between coupled defects as well as the extension of the carrier capture coefficient of complex point defects and dislocations.

Characterization of GaSb/InAs type II infrared detectors at very long wavelengths: carrier scattering at defect clusters

NASA Astrophysics Data System (ADS)

Kitchin, M. R.; Jaros, M.

2003-06-01

We report a systematic study into carrier scattering by isovalent defects within GaSb/InAs superlattices. The heterostructure system which we investigate has attracted recent interest as the active region of a photodetector for very long wavelength infrared (VLWIR) (⩾12 μm) radiation. To achieve our objective, we employed models of the electronic band structure and scattering cross-section. We considered isolated, substitutional defects at each atom site throughout the unit cell in turn and found that the scattering magnitude generally follows the carrier envelope function, being greatest where the overlap of charge with the defect is highest. We scrutinized the contribution of lattice relaxation around defects to the overall scattering, by comparing calculations where this effect was, in turn, included and excluded. We identified some anomalous contributions of relaxation to both qualitative and quantitative features of the cross-section. Physical mechanisms to explain these effects must be arrived at in order to attain satisfactory characterization of these materials, highlighting the need for both microscopic models and further research. Additional modelling of islands of such defects indicated that the cross-section is proportional to the square of the number of constituent atoms, for both carrier types (holes and electrons) and each defect type. This article demonstrates important links between key growth issues and the dynamical properties of these novel semiconductor devices.

A novel micro-Raman technique to detect and characterize 4H-SiC stacking faults

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piluso, N., E-mail: nicolo.piluso@imm.cnr.it; Camarda, M.; La Via, F.

A novel Micro-Raman technique was designed and used to detect extended defects in 4H-SiC homoepitaxy. The technique uses above band-gap high-power laser densities to induce a local increase of free carriers in undoped epitaxies (n < 10{sup 16} at/cm{sup −3}), creating an electronic plasma that couples with the longitudinal optical (LO) Raman mode. The Raman shift of the LO phonon-plasmon-coupled mode (LOPC) increases as the free carrier density increases. Crystallographic defects lead to scattering or recombination of the free carriers which results in a loss of coupling with the LOPC, and in a reduction of the Raman shift. Given that the LOmore » phonon-plasmon coupling is obtained thanks to the free carriers generated by the high injection level induced by the laser, we named this technique induced-LOPC (i-LOPC). This technique allows the simultaneous determination of both the carrier lifetime and carrier mobility. Taking advantage of the modifications on the carrier lifetime induced by extended defects, we were able to determine the spatial morphology of stacking faults; the obtained morphologies were found to be in excellent agreement with those provided by standard photoluminescence techniques. The results show that the detection of defects via i-LOPC spectroscopy is totally independent from the stacking fault photoluminescence signals that cover a large energy range up to 0.7 eV, thus allowing for a single-scan simultaneous determination of any kind of stacking fault. Combining the i-LOPC method with the analysis of the transverse optical mode, the micro-Raman characterization can determine the most important properties of unintentionally doped film, including the stress status of the wafer, lattice impurities (point defects, polytype inclusions) and a detailed analysis of crystallographic defects, with a high spectral and spatial resolution.« less

Electrical and Structural Characterization of Web Dendrite Crystals

NASA Technical Reports Server (NTRS)

Schwuttke, G. H.; Koliwad, K.; Dumas, K. A.

1985-01-01

Minority carrier lifetime distributions in silicon web dendrites are measured. Emphasis is placed on measuring areal homogeneity of lifetime, show its dependency on structural defects, and its unique change during hot processing. The internal gettering action of defect layers present in web crystals and their relation to minority carrier lifetime distributions is discussed. Minority carrier lifetime maps of web dendrites obtained before and after high temperature heat treatment are compared to similar maps obtained from 100 mm diameter Czochralski silicon wafers. Such maps indicate similar or superior areal homogeneity of minority carrier lifetime in webs.

Suppressing Nonradiative Recombination in Crown-Shaped Quantum Wells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Kwangwook; Ju, Gunwu; Na, Byung Hoon

We examined the structural and optical properties of a crown-shaped quantum well (CSQW) to suppress nonradiative recombination. To reduce carrier loss in defect traps at the well/barrier interface, the CSQW was designed to concentrate carriers in the central region by tailoring the bandgap energy. Temperature-dependent photoluminescence measurements showed that the CSQW had a high activation energy and low potential fluctuation. In addition, the long carrier lifetime of the CSQW at high temperatures can be interpreted as indicating a decrease in carrier loss at defect traps.

Measurement of Minority Charge Carrier Diffusion Length in Gallium Nitride Nanowires Using Electron Beam Induced Current (EBIC)

DTIC Science & Technology

2009-12-01

MINORITY CHARGE CARRIER DIFFUSION LENGTH IN GALLIUM NITRIDE NANOWIRES USING ELECTRON BEAM INDUCED CURRENT (EBIC) by Chiou Perng Ong December... Gallium Nitride Nanowires Using Electron Beam Induced Current (EBIC) 6. AUTHOR(S) Ong, Chiou Perng 5. FUNDING NUMBERS DMR 0804527 7. PERFORMING...CARRIER DIFFUSION LENGTH IN GALLIUM NITRIDE NANOWIRES USING ELECTRON BEAM INDUCED CURRENT (EBIC) Chiou Perng Ong Major, Singapore Armed Forces B

First principles study of intrinsic defects in hexagonal tungsten carbide

NASA Astrophysics Data System (ADS)

Kong, Xiang-Shan; You, Yu-Wei; Xia, J. H.; Liu, C. S.; Fang, Q. F.; Luo, G.-N.; Huang, Qun-Ying

2010-11-01

The characteristics of intrinsic defects are important for the understanding of self-diffusion processes, mechanical strength, brittleness, and plasticity of tungsten carbide, which are present in the divertor of fusion reactors. Here, we use first-principles calculations to investigate the stability of point defects and their complexes in tungsten carbide. Our results confirm that the defect formation energies of carbon are much lower than that of tungsten and reveal the carbon vacancy to be the dominant defect in tungsten carbide. The C sbnd C dimer configuration along the dense a direction is the most stable configuration of carbon interstitial defect. The results of carbon defect diffusion show that the carbon vacancy stay for a wide range of temperature because of extremely high diffusion barriers, while carbon interstitial migration is activated at lower temperatures for its considerably lower activation energy. Both of them prefer to diffusion in carbon basal plane.

Determination of charge-carrier diffusion length in the photosensing layer of HgCdTe n-on-p photovoltaic infrared focal plane array detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vishnyakov, A. V.; Stuchinsky, V. A., E-mail: stuchin@isp.nsc.ru; Brunev, D. V.

2014-03-03

In the present paper, we propose a method for evaluating the bulk diffusion length of minority charge carriers in the photosensing layer of photovoltaic focal plane array (FPA) photodetectors. The method is based on scanning a strip-shaped illumination spot with one of the detector diodes at a low level of photocurrents j{sub ph} being registered; such scanning provides data for subsequent analysis of measured spot-scan profiles within a simple diffusion model. The asymptotic behavior of the effective (at j{sub ph} ≠ 0) charge-carrier diffusion length l{sub d} {sub eff} as a function of j{sub ph} for j{sub ph} → 0 inferred frommore » our experimental data proved to be consistent with the behavior of l{sub d} {sub eff} vs j{sub ph} as predicted by the model, while the obtained values of the bulk diffusion length of minority carriers (electrons) in the p-HgCdTe film of investigated HgCdTe n-on-p FPA photodetectors were found to be in a good agreement with the previously reported carrier diffusion-length values for HgCdTe.« less

Silicon metal-semiconductor-metal photodetector

DOEpatents

Brueck, Steven R. J.; Myers, David R.; Sharma, Ashwani K.

1997-01-01

Silicon MSM photodiodes sensitive to radiation in the visible to near infrared spectral range are produced by altering the absorption characteristics of crystalline Si by ion implantation. The implantation produces a defected region below the surface of the silicon with the highest concentration of defects at its base which acts to reduce the contribution of charge carriers formed below the defected layer. The charge carriers generated by the radiation in the upper regions of the defected layer are very quickly collected between biased Schottky barrier electrodes which form a metal-semiconductor-metal structure for the photodiode.

Silicon metal-semiconductor-metal photodetector

DOEpatents

Brueck, Steven R. J.; Myers, David R.; Sharma, Ashwani K.

1995-01-01

Silicon MSM photodiodes sensitive to radiation in the visible to near infrared spectral range are produced by altering the absorption characteristics of crystalline Si by ion implantation. The implantation produces a defected region below the surface of the silicon with the highest concentration of defects at its base which acts to reduce the contribution of charge carriers formed below the defected layer. The charge carriers generated by the radiation in the upper regions of the defected layer are very quickly collected between biased Schottky barrier electrodes which form a metal-semiconductor-metal structure for the photodiode.

Spin diffusion in disordered organic semiconductors

NASA Astrophysics Data System (ADS)

Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz

2015-12-01

An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.

Anomalous Seebeck coefficient observed in silicon nanowire micro thermoelectric generator

NASA Astrophysics Data System (ADS)

Hashimoto, S.; Asada, S.; Xu, T.; Oba, S.; Himeda, Y.; Yamato, R.; Matsukawa, T.; Matsuki, T.; Watanabe, T.

2017-07-01

We have found experimentally an anomalous thermoelectric characteristic of an n-type Si nanowire micro thermoelectric generator (μTEG). The μTEG is fabricated on a silicon-on-insulator wafer by electron beam lithography and dry etching, and its surface is covered with a thermally grown silicon dioxide film. The observed thermoelectric current is opposite to what is expected from the Seebeck coefficient of n-type Si. The result is understandable by considering a potential barrier in the nanowire. Upon the application of the temperature gradient across the nanowire, the potential barrier impedes the diffusion of thermally activated majority carriers into the nanowire, and it rather stimulates the injection of thermally generated minority carriers. The most plausible origin of the potential barrier is negative charges trapped at the interface between the Si nanowire and the oxide film. We practically confirmed that the normal Seebeck coefficient of the n-type Si nanowire is recovered after the hydrogen forming gas annealing. This implies that the interface traps are diminished by the hydrogen termination of bonding defects. The present results show the importance of the surface inactivation treatment of μTEGs to suppress the potential barrier and unfavorable contribution of minority carriers.

Specific features of defect and mass transport in concentrated fcc alloys

DOE PAGES

Osetsky, Yuri N.; Béland, Laurent K.; Stoller, Roger E.

2016-06-15

We report that diffusion and mass transport are basic properties that control materials performance, such as phase stability, solute decomposition and radiation tolerance. While understanding diffusion in dilute alloys is a mature field, concentrated alloys are much less studied. Here, atomic-scale diffusion and mass transport via vacancies and interstitial atoms are compared in fcc Ni, Fe and equiatomic Ni-Fe alloy. High temperature properties were determined using conventional molecular dynamics on the microsecond timescale, whereas the kinetic activation-relaxation (k-ART) approach was applied at low temperatures. The k-ART was also used to calculate transition states in the alloy and defect transport coefficients.more » The calculations reveal several specific features. For example, vacancy and interstitial defects migrate via different alloy components, diffusion is more sluggish in the alloy and, notably, mass transport in the concentrated alloy cannot be predicted on the basis of diffusion in its pure metal counterparts. Lastly, the percolation threshold for the defect diffusion in the alloy is discussed and it is suggested that this phenomenon depends on the properties and diffusion mechanisms of specific defects.« less

Advanced methods for preparation and characterization of infrared detector materials. [mercury cadmium tellurides

NASA Technical Reports Server (NTRS)

Lehoczky, S. L.; Szofran, F. R.; Martin, B. G.

1980-01-01

Mercury cadmium telluride crystals were prepared by the Bridgman method with a wide range of crystal growth rates and temperature gradients adequate to prevent constitutional supercooling under diffusion-limited, steady state, growth conditions. The longitudinal compositional gradients for different growth conditions and alloy compositions were calculated and compared with experimental data to develop a quantitative model of the crystal growth kinetics for the Hg(i-x)CdxTe alloys, and measurements were performed to ascertain the effect of growth conditions on radial compositional gradients. The pseudobinary HgTe-CdTe constitutional phase diagram was determined by precision differential thermal analysis measurements and used to calculate the segregation coefficient of Cd as a function of x and interface temperature. Computer algorithms specific to Hg(1-x)CdxTe were developed for calculations of the charge carrier concentrations, charge carrier mobilities, Hall coefficient, optical absorptance, and Fermi energy as functions of x, temperature, ionized donor and acceptor concentrations, and neutral defect concentrations.

Impact of a boron rich layer on minority carrier lifetime degradation in boron spin-on dopant diffused n-type crystalline silicon solar cells

NASA Astrophysics Data System (ADS)

Singha, Bandana; Singh Solanki, Chetan

2016-03-01

In the production of n-type crystalline silicon solar cells with boron diffused emitters, the formation of a boron rich layer (BRL) is a common phenomenon and is largely responsible for bulk lifetime degradation. The phenomenon of BRL formation during diffusion of boron spin-on dopant and its impact on bulk lifetime degradation are investigated in this work. The BRL formed beneath the borosilicate glass layer has thicknesses varying from 10 nm-150 nm depending on the diffusion conditions. The effective and bulk minority carrier lifetimes, measured with Al2O3 deposited layers and a quinhydron-methanol solution, show that carrier lifetime degradation is proportional to the BRL thicknesses and their surface recombination velocities. The controlled diffusion processes and different oxidation techniques used in this work can partially reduce the BRL thickness and improve carrier lifetime by more than 10%. But for BRL thicknesses higher than 50 nm, different etching techniques further lower the carrier lifetime and the degradation in the device cannot be recovered.

48 CFR 1652.215-70 - Rate Reduction for Defective Pricing or Defective Cost or Pricing Data.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 6 2011-10-01 2011-10-01 false Rate Reduction for... Carrier certifies to the Contracting Officer that, to the best of the Carrier's knowledge and belief, the... 36387, June 8, 2000; 70 FR 31383, June 1, 2005] ...

48 CFR 1652.215-70 - Rate Reduction for Defective Pricing or Defective Cost or Pricing Data.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 48 Federal Acquisition Regulations System 6 2014-10-01 2014-10-01 false Rate Reduction for... Carrier certifies to the Contracting Officer that, to the best of the Carrier's knowledge and belief, the... 36387, June 8, 2000; 70 FR 31383, June 1, 2005] ...

48 CFR 1652.215-70 - Rate Reduction for Defective Pricing or Defective Cost or Pricing Data.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 48 Federal Acquisition Regulations System 6 2013-10-01 2013-10-01 false Rate Reduction for... Carrier certifies to the Contracting Officer that, to the best of the Carrier's knowledge and belief, the... 36387, June 8, 2000; 70 FR 31383, June 1, 2005] ...

48 CFR 1652.215-70 - Rate Reduction for Defective Pricing or Defective Cost or Pricing Data.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 6 2012-10-01 2012-10-01 false Rate Reduction for... Carrier certifies to the Contracting Officer that, to the best of the Carrier's knowledge and belief, the... 36387, June 8, 2000; 70 FR 31383, June 1, 2005] ...

Surface recombination velocity and diffusion length of minority carriers in heavily doped silicon layers

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Watanabe, M.; Actor, G.

1977-01-01

Quantitative analysis of the electron beam-induced current and the dependence of the effective diffusion length of the minority carriers on the penetration depth of the electron beam were employed for the analysis of the carrier recombination characteristics in heavily doped silicon layers. The analysis is based on the concept of the effective excitation strength of the carriers which takes into consideration all possible recombination sources. Two dimensional mapping of the surface recombination velocity of P-diffused Si layers will be presented together with a three dimensional mapping of minority carrier lifetime in ion implanted Si. Layers heavily doped with As exhibit improved recombination characteristics as compared to those of the layers doped with P.

Hydrogen mobility in transition zone silicates

NASA Astrophysics Data System (ADS)

Caracas, Razvan; Panero, Wendy R.

2017-12-01

We study the hydrogen mobility in ringwoodite and wadsleyite considering multiple charge-balanced defects, including Mg < = > 2H, Si < = > Mg + 2H, and the hydrogarnet defect, Si < = > 4H, using molecular dynamics simulations based on the density functional theory at transition zone pressures and temperatures between 1500 and 2500 K. We determine the diffusion coefficients and study in detail the mechanism of hydrogen mobility during lengthy simulations. Our results show that temperature, water concentration, and defect mechanism have a significant effect on mobility. We find that the fastest diffusion is for the Mg < = > 2H defect, while H is more mobile when incorporated as Si < = > Mg + 2H than as hydrogarnet defects. The computed diffusivities for ringwoodite are larger than for wadsleyite: at 2000 K, diffusivity is 1.13 × 10-09 m2/s for ringwoodite compared to 0.93 × 10-09 m2/s for wadsleyite. In general, the hydrogen atoms spend on the order of tens of picoseconds or more trapped in or around the vacancy sites with net migration between sites over timescales of tens of femtoseconds. At 2500 K, some of these hydrogen excursions take place over several angstroms, while at 2000 K, they do not always result in net diffusion. At 1500 K, most of the defects fail to make excursions from their defect sites resulting in diffusion.

Imaging atomic-level random walk of a point defect in graphene

NASA Astrophysics Data System (ADS)

Kotakoski, Jani; Mangler, Clemens; Meyer, Jannik C.

2014-05-01

Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect diffusion is hindered both by the difficulties related to direct imaging of non-periodic structures and by the timescales involved in the diffusion process. Here, instead of imaging thermal diffusion, we stimulate and follow the migration of a divacancy through graphene lattice using a scanning transmission electron microscope operated at 60 kV. The beam-activated process happens on a timescale that allows us to capture a significant part of the structural transformations and trajectory of the defect. The low voltage combined with ultra-high vacuum conditions ensure that the defect remains stable over long image sequences, which allows us for the first time to directly follow the diffusion of a point defect in a crystalline material.

Thermally ruggedized ITO transparent electrode films for high power optoelectronics

DOE PAGES

Yoo, Jae-Hyuck; Matthews, Manyalibo; Ramsey, Phil; ...

2017-10-06

Here, we present two strategies to minimize laser damage in transparent conductive films. The first consists of improving heat dissipation by selection of substrates with high thermal diffusivity or by addition of capping layer heatsinks. The second is reduction of bulk energy absorption by lowering free carrier density and increasing mobility, while maintaining film conductance with thicker films. Multi-pulse laser damage tests were performed on tin-doped indium oxide (ITO) films configured to improve optical lifetime damage performance. Conditions where improvements were not observed are also described. Finally, when bulk heating is not the dominant damage process, discrete defect-induced damage limitsmore » damage behavior.« less

Radiation effects induced in pin photodiodes by 40- and 85-MeV protons

NASA Technical Reports Server (NTRS)

Becher, J.; Kernell, R. L.; Reft, C. S.

1985-01-01

PIN photodiodes were bombarded with 40- and 85-MeV protons to a fluence of 1.5 x 10 to the 11th power p/sq cm, and the resulting change in spectral response in the near infrared was determined. The photocurrent, dark current and pulse amplitude were measured as a function of proton fluence. Changes in these three measured properties are discussed in terms of changes in the diode's spectral response, minority carrier diffusion length and depletion width. A simple model of induced radiation effects is presented which is in good agreement with the experimental results. The model assumes that incident protons produce charged defects within the depletion region simulating donor type impurities.

Process Research of Polycrystalline Silicon Material (PROPSM)

NASA Technical Reports Server (NTRS)

Culik, J. S.

1984-01-01

An investigation was begun into the usefulness of molecular hydrogen annealing on polycrystalline solar cells. No improvement was realized even after twenty hours of hydrogenation. Thus, samples were chosen on the basis of: (1) low open circuit voltage; (2) low shunt conductance; and (3) high light generated current. These cells were hydrogenated in molecular hydrogen at 300 C. The differences between the before and after hydrogenation values are so slight as to be negligible. These cells have light generated current densities that indicate long minority carrier diffusion lengths. The open circuit voltage appears to be degraded, and quasi-neutral recombination current enhanced. Therefore, molecular hydrogen is not usful for passivating electrically active defects.

Effective defect diffusion lengths in Ar-ion bombarded 3C-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bayu Aji, L. B.; Wallace, J. B.; Shao, L.

Above room temperature, SiC exhibits pronounced processes of diffusion and interaction of radiation-generated point defects. Here, we use the recently developed pulsed ion beam method to measure effective defect diffusion lengths in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal a diffusion length of ~10 nm, which exhibits a weak temperature dependence, changing from 9 to 13 nm with increasing temperature. Lastly, these results have important implications for understanding and predicting radiation damage in SiC and for the development of radiation-resistant materials via interface-mediated defect reactions.

Effective defect diffusion lengths in Ar-ion bombarded 3C-SiC

DOE PAGES

Bayu Aji, L. B.; Wallace, J. B.; Shao, L.; ...

2016-04-14

Above room temperature, SiC exhibits pronounced processes of diffusion and interaction of radiation-generated point defects. Here, we use the recently developed pulsed ion beam method to measure effective defect diffusion lengths in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal a diffusion length of ~10 nm, which exhibits a weak temperature dependence, changing from 9 to 13 nm with increasing temperature. Lastly, these results have important implications for understanding and predicting radiation damage in SiC and for the development of radiation-resistant materials via interface-mediated defect reactions.

Effects of fO2, fH2O and aoxide on formation and density of extended planar defects in olivine

NASA Astrophysics Data System (ADS)

Burgess, K.; Cooper, R. F.

2011-12-01

Melt inclusions are used in geochemistry to inform our understanding of many physiochemical processes taking place in the mantle, such as melting, melt-rock interactions and magma mixing. Fundamental to this interpretation of melt inclusions is the assumption that they act as closed systems, i.e., they are chemically isolated after trapping and preserve primitive magma compositions. However, recent work indicates that volatiles (e.g., H and F) can be rapidly reset [Portnyagin et al., 2008], and the diffusion mechanisms and rates in tracer diffusion experiments, specifically of REEs, are a matter of some debate [Spandler and O'Neill, 2010; Cherniak, 2010]. The compendium of observations and experiments suggests a role of planar extended defects in effecting and affecting diffusion kinetics in olivine. Planar extended defects are the exothermic condensation of charged point defects into two-dimensional structures, their third dimension insufficient (i.e., sub-unit cell) to describe them as a unique phase. These planar defects, in a manner similar to mechanisms of "pipe" diffusion along dislocations and of grain boundary diffusion, can lead to measured diffusivities far greater than the lattice diffusivity, and their overall effect on flux is proportional to their spatial density [cf. Hart, 1957]. High-resolution TEM and AEM investigation of experimental olivine-basalt samples show the presence of planar defects near the olivine-melt interface, with the area fraction of the high-contrast defects in the images being greatest at high fO2 and/or fH2O while temperature has an effect on the defect dimensions but not total areal density. EDS analysis of the interface regions indicate high Ti/Ca and Ti/Al ratios compared to the glass; the stability of intercalated humite-type defects in olivine, a planar defect type found in some natural olivines [e.g., Risold et al., 2001; Hermann et al., 2007], is increased to higher temperature by the incorporation of Ti. Activities of oxides clearly affect the presence and density of the defects. Olivine-ilmenite experiments were also carried out in varying fO2 and fH2O conditions. Thermodynamic calculations for concentrations of point defects, defect association(s) and defect condensation in olivine can relate experimental data for measured diffusivities to discerning natural conditions where condensed-defect, fast-path diffusion in olivine could be significant. Planar extended defects can potentially play a role in the kinetics of deformation of olivine in the mantle, particularly as the condensation reaction lowers the activity of mobile point defects. Cherniak, Am. Mineral. 95 (2010) 362-368. Hart, Acta Met. 5 (1957) 597. Hermann et al., Contrib. Mineral. Petrol. 153 (2007) 417-428. Portnyagin et al., Earth Planet. Sci.Lett. 272 (2008) 541-552. Risold et al., Contrib. Mineral. Petrol. 142 (2001) 619-628. Spandler and O'Neill, Contrib. Mineral. Petrol. 159 (2010) 791-818.

Near Field Imaging of Gallium Nitride Nanowires for Characterization of Minority Carrier Diffusion

DTIC Science & Technology

2009-12-01

diffusion length in nanowires is critical to potential applications in solar cells , spectroscopic sensing, and/or lasers and light emitting diodes (LED...technique has been successfully demonstrated with thin film solar cell materials [4, 5]. In these experiments, the diffusion length was measured using a...minority carrier diffusion length . This technique has been used in the near-field collection mode to image the diffusion of holes in n-type GaN

Self healing of defected graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Jianhui; Shi, Tuwan; Cai, Tuocheng

For electronics applications, defects in graphene are usually undesirable because of their ability to scatter charge carriers, thereby reduce the carrier mobility. It would be extremely useful if the damage can be repaired. In this work, we employ Raman spectroscopy, X-ray photoemission spectroscopy, transmission electron microscopy, and electrical measurements to study defects in graphene introduced by argon plasma bombardment. We have found that majority of these defects can be cured by a simple thermal annealing process. The self-healing is attributed to recombination of mobile carbon adatoms with vacancies. With increasing level of plasma induced damage, the self-healing becomes less effective.

Deformation in amorphous–crystalline nanolaminates—an effective-temperature theory and interaction between defects

DOE PAGES

Lieou, Charles K. C.; Mayeur, Jason R.; Beyerlein, Irene J.

2017-02-24

Experiments and atomic-scale simulations suggest that the transmission of plasticity carriers in deforming amorphous–crystalline nanolaminates is mediated by the biphase interface between the amorphous and crystalline layers. In this study, we present a micromechanics model for these biphase nanolaminates that describes defect interactions through the amorphous–crystalline interface (ACI). The model is based on an effective-temperature framework to achieve a unified description of the slow, configurational atomic rearrangements in both phases when driven out of equilibrium. We show how the second law of thermodynamics constrains the density of defects and the rate of configurational rearrangements, and apply this framework to dislocationsmore » in crystalline solids and shear transformation zones (STZs) in amorphous materials. The effective-temperature formulation enables us to interpret the observed movement of dislocations to the ACI and the production of STZs at the interface as a 'diffusion' of configurational disorder across the material. Finally, we demonstrate favorable agreement with experimental findings reported in (Kim et al 2011 Adv. Funct. Mater. 21 4550–4), and demonstrate how the ACI acts as a sink of dislocations and a source of STZs.« less

Mathematical analysis of the Photovoltage Decay (PVD) method for minority carrier lifetime measurements

NASA Technical Reports Server (NTRS)

Vonroos, O. H.

1982-01-01

When the diffusion length of minority carriers becomes comparable with or larger than the thickness of a p-n junction solar cell, the characteristic decay of the photon-generated voltage results from a mixture of contributions with different time constants. The minority carrier recombination lifetime tau and the time constant l(2)/D, where l is essentially the thickness of the cell and D the minority carrier diffusion length, determine the signal as a function of time. It is shown that for ordinary solar cells (n(+)-p junctions), particularly when the diffusion length L of the minority carriers is larger than the cell thickness l, the excess carrier density decays according to exp (-t/tau-pi(2)Dt/4l(2)), tau being the lifetime. Therefore, tau can be readily determined by the photovoltage decay method once D and L are known.

Multiple doping of silicon-germanium alloys for thermoelectric applications

NASA Technical Reports Server (NTRS)

Fleurial, Jean-Pierre; Vining, Cronin B.; Borshchevsky, Alex

1989-01-01

It is shown that heavy doping of n-type Si/Ge alloys with phosphorus and arsenic (V-V doping interaction) by diffusion leads to a significant enhancement of their carrier concentration and possible improvement of the thermoelectric figure of merit. High carrier concentrations were achieved by arsenic doping alone, but for a same doping level higher carrier mobilities and lower resistivities are obtained through phosphorus doping. By combining the two dopants with the proper diffusion treatments, it was possible to optimize the different properties, obtaining high carrier concentration, good carrier mobility and low electrical resistivity. Similar experiments, using the III-V doping interaction, were conducted on boron-doped p-type samples and showed the possibility of overcompensating the samples by diffusing arsenic, in order to get n-type behavior.

Ultrafast dynamics of defect-assisted electron-hole recombination in monolayer MoS2.

PubMed

Wang, Haining; Zhang, Changjian; Rana, Farhan

2015-01-14

In this Letter, we present nondegenerate ultrafast optical pump-probe studies of the carrier recombination dynamics in MoS2 monolayers. By tuning the probe to wavelengths much longer than the exciton line, we make the probe transmission sensitive to the total population of photoexcited electrons and holes. Our measurement reveals two distinct time scales over which the photoexcited electrons and holes recombine; a fast time scale that lasts ∼ 2 ps and a slow time scale that lasts longer than ∼ 100 ps. The temperature and the pump fluence dependence of the observed carrier dynamics are consistent with defect-assisted recombination as being the dominant mechanism for electron-hole recombination in which the electrons and holes are captured by defects via Auger processes. Strong Coulomb interactions in two-dimensional atomic materials, together with strong electron and hole correlations in two-dimensional metal dichalcogenides, make Auger processes particularly effective for carrier capture by defects. We present a model for carrier recombination dynamics that quantitatively explains all features of our data for different temperatures and pump fluences. The theoretical estimates for the rate constants for Auger carrier capture are in good agreement with the experimentally determined values. Our results underscore the important role played by Auger processes in two-dimensional atomic materials.

First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3

NASA Astrophysics Data System (ADS)

Rak, Zs.; Brenner, D. W.

2018-04-01

Diffusion of Fe and Ni and the energetics of Fe- and Ni-related defects in chromium oxide (α-Cr2O3) are investigated using first-principles Density Functional Theory calculations in combination with the climbing-image nudged elastic band method. The orientations of the spin magnetic moments of the migrating ions are taken into account and their effects on migration barriers are examined. Several possible diffusion pathways were explored through interstitial and vacancy mechanisms, and it was found that the principal mode of ion transport in Cr2O3 is via vacancies. Both interstitial- and vacancy-mediated diffusions are anisotropic, with diffusion being faster in the z-direction. The energetics of defect formation indicates that the Ni-related defects are less stable than the Fe-related ones. This is consistent with Ni-diffusion being faster than Fe-diffusion. The results are compared with previous theoretical and experimental data and possible implications in corrosion control are discussed.

Photoluminescence kinetics slowdown in an ensemble of GaN/AlN quantum dots upon tunneling interaction with defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aleksandrov, I. A., E-mail: Aleksandrov@isp.nsc.ru; Mansurov, V. G.; Zhuravlev, K. S.

2016-08-15

The carrier recombination dynamics in an ensemble of GaN/AlN quantum dots is studied. The model proposed for describing this dynamics takes into account the transition of carriers between quantum dots and defects in a matrix. Comparison of the experimental and calculated photoluminescence decay curves shows that the interaction between quantum dots and defects slows down photoluminescence decay in the ensemble of GaN/AlN quantum dots.

Defect imaging for plate-like structures using diffuse field.

PubMed

Hayashi, Takahiro

2018-04-01

Defect imaging utilizing a scanning laser source (SLS) technique produces images of defects in a plate-like structure, as well as spurious images occurring because of resonances and reverberations within the specimen. This study developed defect imaging by the SLS using diffuse field concepts to reduce the intensity of spurious images, by which the energy of flexural waves excited by laser can be estimated. The experimental results in the different frequency bandwidths of excitation waves and in specimens with different attenuation proved that clearer images of defects are obtained in broadband excitation using a chirp wave and in specimens with low attenuation, which produce diffuse fields easily.

Carrier diffusion as a measure of carrier/exciton transfer rate in InAs/InGaAsP/InP hybrid quantum dot-quantum well structures emitting at telecom spectral range

NASA Astrophysics Data System (ADS)

Rudno-Rudziński, W.; Biegańska, D.; Misiewicz, J.; Lelarge, F.; Rousseau, B.; Sek, G.

2018-01-01

We investigate the diffusion of photo-generated carriers (excitons) in hybrid two dimensional-zero dimensional tunnel injection structures, based on strongly elongated InAs quantum dots (called quantum dashes, QDashes) of various heights, designed for emission at around 1.5 μm, separated by a 3.5 nm wide barrier from an 8 nm wide In0.64Ga0.36As0.78P0.22 quantum well (QW). By measuring the spectrally filtered real space images of the photoluminescence patterns with high resolution, we probe the spatial extent of the emission from QDashes. Deconvolution with the exciting light spot shape allows us to extract the carrier/exciton diffusion lengths. For the non-resonant excitation case, the diffusion length depends strongly on excitation power, pointing at carrier interactions and phonons as its main driving mechanisms. For the case of excitation resonant with absorption in the adjacent QW, the diffusion length does not depend on excitation power for low excitation levels since the generated carriers do not have sufficient excess kinetic energy. It is also found that the diffusion length depends on the quantum-mechanical coupling strength between QW and QDashes, controlled by changing the dash size. It influences the energy difference between the QDash ground state of the system and the quantum well levels, which affects the tunneling rates. When that QW-QDash level separation decreases, the probability of capturing excitons generated in the QW by QDashes increases, which is reflected by the decreased diffusion length from approx. 5 down to 3 μm.

Cementoblast Delivery for Periodontal Tissue Engineering

PubMed Central

Zhao, Ming; Jin, Qiming; Berry, Janice E.; Nociti, Francisco H.; Giannobile, William V.; Somerman, Martha J.

2008-01-01

Background Predictable periodontal regeneration following periodontal disease is a major goal of therapy. The objective of this proof of concept investigation was to evaluate the ability of cementoblasts and dental follicle cells to promote periodontal regeneration in a rodent periodontal fenestration model. Methods The buccal aspect of the distal root of the first mandibular molar was denuded of its periodontal ligament (PDL), cementum, and superficial dentin through a bony window created bilaterally in 12 athymic rats. Treated defects were divided into three groups: 1) carrier alone (PLGA polymer sponges), 2) carrier + follicle cells, and 3) carrier + cementoblasts. Cultured murine primary follicle cells and immortalized cementoblasts were delivered to the defects via biodegradable PLGA polymer sponges, and mandibulae were retrieved 3 weeks and 6 weeks post-surgery for histological evaluation. In situ hybridization, for gene expression of bone sialoprotein (BSP) and osteocalcin (OCN), and histomorphometric analysis were further done on 3-week specimens. Results Three weeks after surgery, histology of defects treated with carrier alone indicated PLGA particles, fibrous tissue, and newly formed bone scattered within the defect area. Defects treated with carrier + follicle cells had a similar appearance, but with less formation of bone. In contrast, in defects treated with carrier + cementoblasts, mineralized tissues were noted at the healing site with extension toward the root surface, PDL region, and laterally beyond the buccal plate envelope of bone. No PDL-bone fibrous attachment was observed in any of the groups at this point. In situ hybridization showed that the mineralized tissue formed by cementoblasts gave strong signals for both BSP and OCN genes, confirming its nature as cementum or bone. The changes noted at 3 weeks were also observed at 6 weeks. Cementoblast-treated and carrier alone-treated defects exhibited complete bone bridging and PDL formation, whereas follicle cell-treated defects showed minimal evidence of osteogenesis. No new cementum was formed along the root surface in the above two groups. Cementoblast-treated defects were filled with trabeculated mineralized tissue similar to, but more mature, than that seen at 3 weeks. Furthermore, the PDL region was maintained with well-organized collagen fibers connecting the adjacent bone to a thin layer of cementum-like tissue observed on the root surface. Neoplastic changes were observed at the superficial portions of the implants in two of the 6-week cementoblast-treated specimens, possibly due in part to the SV40-transformed nature of the implanted cell line. Conclusions This pilot study demonstrates that cementoblasts have a marked ability to induce mineralization in periodontal wounds when delivered via polymer sponges, while implanted dental follicle cells seem to inhibit periodontal healing. These results confirm the selective behaviors of different cell types in vivo and support the role of cementoblasts as a tool to better understand periodontal regeneration and cementogenesis. PMID:15025227

Recombination by band-to-defect tunneling near semiconductor heterojunctions: A theoretical model

DOE PAGES

Wampler, William R.; Samuel M. Myers; Modine, Normand A.

2016-10-04

Carrier transport and recombination are modeled for a heterojunction diode containing defect traps. Here, particular attention is given to the role of band-to-trap tunneling and how it is affected by band offsets at the junction. Tunneled states are characterized by numerical solution of the Schrodinger equation, and the interaction with traps is treated assuming capture and emission by the multi-phonon mechanism. It is shown that tunneling can increase carrier recombination at defects by orders magnitude in the presence of large band offsets. This explains why InGaP/GaAs/GaAs Npn HBTs with displacement damage from energetic particle irradiation have higher carrier recombination inmore » the emitter-base depletion region.« less

Recombination by band-to-defect tunneling near semiconductor heterojunctions: A theoretical model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wampler, William R.; Samuel M. Myers; Modine, Normand A.

Carrier transport and recombination are modeled for a heterojunction diode containing defect traps. Here, particular attention is given to the role of band-to-trap tunneling and how it is affected by band offsets at the junction. Tunneled states are characterized by numerical solution of the Schrodinger equation, and the interaction with traps is treated assuming capture and emission by the multi-phonon mechanism. It is shown that tunneling can increase carrier recombination at defects by orders magnitude in the presence of large band offsets. This explains why InGaP/GaAs/GaAs Npn HBTs with displacement damage from energetic particle irradiation have higher carrier recombination inmore » the emitter-base depletion region.« less

Development of Zinc Tin Nitride for Application as an Earth Abundant Photovoltaic Absorber

NASA Astrophysics Data System (ADS)

Fioretti, Angela N.

In recent years, many new potential absorber materials based on earth-abundant and non-toxic elements have been predicted. These materials, often made in thin film form and known to absorb light 10-1000 times more e ciently than crystalline silicon, could lower module cost and enable broader solar deployment. One such material is zinc tin nitride (ZnSnN 2), a II-IV-nitride analog of the III-nitride materials, which was identified as a suitable solar absorber due to its direct bandgap, large absorption coefficient, and disorder-driven bandgap tunability. Despite these desirable properties, initial attempts at synthesis resulted in degenerate n-type carrier density. Computational work on the point defect formation energies for this material revealed three donor defects were likely the cause; specifically SnZn antisites, VN sites, and ON substitutions. Given this framework, a defect-driven hypothesis was proposed as a starting point for the present work: if each donor defect could be addressed by tuning deposition parameters, n-type degeneracy may be defeated. By using combinatorial co- sputtering to grow compositionally-graded thin film samples, n-type carrier density was reduced by two orders of magnitude compared to state-of-the-art. This reduction in carrier density was observed for zinc-rich samples, which supported the defect-driven hypothesis initially proposed. These results and their implications are the topic of Chapter 2. Further carrier density control in zinc-rich ZTN was achieved via hydrogen incorporation and post-growth annealing. This strategy was hypothesized to operate by passivating acceptor defects to avoid self-compensation, which were then activated by hydrogen drive- out upon annealing. Carrier density was reduced another order of magnitude using this technique, which is presented in Chapter 3. After defeating n-type degeneracy, a deeper understanding of the electronic structure was pursued. Photoluminescence (PL) was used to study electronic structure and recombination pathways in zinc-rich ZTN, and excitonic emission was observed despite its many crystallographic defects. PL results are presented in Chapter 4. Ultimately, this work has advanced the field of ZTN research both technologically and scientifically, by providing strategies for self-doping control and identifying critical defect interactions giving rise to n-type degeneracy and carrier density reduction.

Determination of critical diameters for intrinsic carrier diffusion-length of GaN nanorods with cryo-scanning near-field optical microscopy

PubMed Central

Chen, Y. T.; Karlsson, K. F.; Birch, J.; Holtz, P. O.

2016-01-01

Direct measurements of carrier diffusion in GaN nanorods with a designed InGaN/GaN layer-in-a-wire structure by scanning near-field optical microscopy (SNOM) were performed at liquid-helium temperatures of 10 K. Without an applied voltage, intrinsic diffusion lengths of photo-excited carriers were measured as the diameters of the nanorods differ from 50 to 800 nm. The critical diameter of nanorods for carrier diffusion is concluded as 170 nm with a statistical approach. Photoluminescence spectra were acquired for different positions of the SNOM tip on the nanorod, corresponding to the origins of the well-defined luminescence peaks, each being related to recombination-centers. The phenomenon originated from surface oxide by direct comparison of two nanorods with similar diameters in a single map has been observed and investigated. PMID:26876009

Tutorial: Junction spectroscopy techniques and deep-level defects in semiconductors

NASA Astrophysics Data System (ADS)

Peaker, A. R.; Markevich, V. P.; Coutinho, J.

2018-04-01

The term junction spectroscopy embraces a wide range of techniques used to explore the properties of semiconductor materials and semiconductor devices. In this tutorial review, we describe the most widely used junction spectroscopy approaches for characterizing deep-level defects in semiconductors and present some of the early work on which the principles of today's methodology are based. We outline ab-initio calculations of defect properties and give examples of how density functional theory in conjunction with formation energy and marker methods can be used to guide the interpretation of experimental results. We review recombination, generation, and trapping of charge carriers associated with defects. We consider thermally driven emission and capture and describe the techniques of Deep Level Transient Spectroscopy (DLTS), high resolution Laplace DLTS, admittance spectroscopy, and scanning DLTS. For the study of minority carrier related processes and wide gap materials, we consider Minority Carrier Transient Spectroscopy (MCTS), Optical DLTS, and deep level optical transient spectroscopy together with some of their many variants. Capacitance, current, and conductance measurements enable carrier exchange processes associated with the defects to be detected. We explain how these methods are used in order to understand the behaviour of point defects and the determination of charge states and negative-U (Hubbard correlation energy) behaviour. We provide, or reference, examples from a wide range of materials including Si, SiGe, GaAs, GaP, GaN, InGaN, InAlN, and ZnO.

Self-regulation mechanism for charged point defects in hybrid halide perovskites

DOE PAGES

Walsh, Aron; Scanlon, David O.; Chen, Shiyou; ...

2014-12-11

Hybrid halide perovskites such as methylammonium lead iodide (CH 3NH 3PbI 3) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to self-regulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4 % at room temperature. Furthermore, this behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance.

Non-Radiative Carrier Recombination Enhanced by Two-Level Process: A First-Principles Study

NASA Astrophysics Data System (ADS)

Yang, Ji-Hui; Shi, Lin; Wang, Lin-Wang; Wei, Su-Huai

2016-02-01

Non-radiative recombination plays an important role in the performance of optoelectronic semiconductor devices such as solar cells and light-emitting diodes. Most textbook examples assume that the recombination process occurs through a single defect level, where one electron and one hole are captured and recombined. Based on this simple picture, conventional wisdom is that only defect levels near the center of the bandgap can be effective recombination centers. Here, we present a new two-level recombination mechanism: first, one type of carrier is captured through a defect level forming a metastable state; then the local defect configuration rapidly changes to a stable state, where the other type of carrier is captured and recombined through another defect level. This novel mechanism is applied to the recombination center in CdTe. We show that this two-level process can significantly increase the recombination rate (by three orders of magnitude) in agreement with experiments. We expect that this two-level recombination process can exist in a wide range of semiconductors, so its effect should be carefully examined in characterizing optoelectronic materials.

Preliminary evaluation of a load-bearing BMP-2 carrier for segmental defect regeneration.

PubMed

Chu, Tien-Min G; Sargent, Peter; Warden, Stuart J; Turner, Charles H; Stewart, Rena L

2006-01-01

Large segmental defects in bones can result from tumor removal, massive trauma, congenital malformation, or non-union fractures. Such defects often are difficult to manage and require multiple-phase surgery to achieve adequate union and function. In this study, we propose a novel design of bone morphogenetic protein 2 (BMP-2) carrier for tissue engineering of segmental defect regeneration. The tube-shaped BMP-2 carrier was fabrication from a poly(propylene fumarate)/tricalcium phosphate (PPF/TCP) composite via casting technique developed in our laboratory. An in vitro evaluation showed that the compressive strength of the carrier decreased about 48% in 12 weeks while maintained a pH in the 6.8-7.4 range. In vivo study was conducted by implanting carriers loaded with 10 microg of BMP-2 in 5 mm rat femur gap model for 15 weeks. X-ray evidence of bridging was first found in the BMP group at 3 weeks. Bridging in all animals (N = 4) in the BMP group was found at 9 weeks. No x-ray evidence of bridging was found in the No BMP group (N = 3). pQCT analysis indicated that the bone mineral density of the callus in the BMP group has reached the level of native femur at 15 weeks after implantation, while the callus in the No BMP group has a bone mineral density at a lower level of 84% to the native femur. Histology analysis shows that a normal fatty bone marrow was restored and mineralized callus formed and bridged the segmental defect.

System for characterizing semiconductor materials and photovoltaic devices through calibration

DOEpatents

Sopori, Bhushan L.; Allen, Larry C.; Marshall, Craig; Murphy, Robert C.; Marshall, Todd

1998-01-01

A method and apparatus for measuring characteristics of a piece of material, typically semiconductor materials including photovoltaic devices. The characteristics may include dislocation defect density, grain boundaries, reflectance, external LBIC, internal LBIC, and minority carrier diffusion length. The apparatus includes a light source, an integrating sphere, and a detector communicating with a computer. The measurement or calculation of the characteristics is calibrated to provide accurate, absolute values. The calibration is performed by substituting a standard sample for the piece of material, the sample having a known quantity of one or more of the relevant characteristics. The quantity measured by the system of the relevant characteristic is compared to the known quantity and a calibration constant is created thereby.

System for characterizing semiconductor materials and photovoltaic devices through calibration

DOEpatents

Sopori, B.L.; Allen, L.C.; Marshall, C.; Murphy, R.C.; Marshall, T.

1998-05-26

A method and apparatus are disclosed for measuring characteristics of a piece of material, typically semiconductor materials including photovoltaic devices. The characteristics may include dislocation defect density, grain boundaries, reflectance, external LBIC, internal LBIC, and minority carrier diffusion length. The apparatus includes a light source, an integrating sphere, and a detector communicating with a computer. The measurement or calculation of the characteristics is calibrated to provide accurate, absolute values. The calibration is performed by substituting a standard sample for the piece of material, the sample having a known quantity of one or more of the relevant characteristics. The quantity measured by the system of the relevant characteristic is compared to the known quantity and a calibration constant is created thereby. 44 figs.

Creation and Analysis of Atomic Structures for CdTe Bi-crystal Interfaces by the Grain Boundary Genie

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buurma, Christopher; Sen, Fatih G.; Paulauskas, Tadas

2015-01-01

Grain boundaries (GB) in poly-CdTe solar cells play an important role in species diffusion, segregation, defect formation, and carrier recombination. While the creation of specific high-symmetry interfaces can be straight forward, the creation of general GB structures in many material systems is difficult if periodic boundary conditions are to be enforced. Here we describe a novel algorithm and implementation to generate initial general GB structures for CdTe in an automated way, and we investigate some of these structures using density functional theory (DFT). Example structures include those with bi-crystals already fabricated for comparison, and those planning to be investigated inmore » the future.« less

Controlled electroluminescence of n-ZnMgO/p-GaN light-emitting diodes

NASA Astrophysics Data System (ADS)

Goh, E. S. M.; Yang, H. Y.; Han, Z. J.; Chen, T. P.; Ostrikov, K.

2012-12-01

Effective control of room-temperature electroluminescence of n-ZnMgO/p-GaN light-emitting diodes (LEDs) over both emission intensity and wavelength is demonstrated. With varied Mg concentration, the intensity of LEDs in the near-ultraviolet region is increased due to the effective radiative recombination in the ZnMgO layer. Furthermore, the emission wavelength is shifted to the green/yellow spectral region by employing an indium-tin-oxide thin film as the dopant source, where thermally activated indium diffusion creates extra deep defect levels for carrier recombination. These results clearly demonstrate the effectiveness of controlled metal incorporation in achieving high energy efficiency and spectral tunability of the n-ZnMgO/p-GaN LED devices.

Shallow trapping vs. deep polarons in a hybrid lead halide perovskite, CH3NH3PbI3.

PubMed

Kang, Byungkyun; Biswas, Koushik

2017-10-18

There has been considerable speculation over the nature of charge carriers in organic-inorganic hybrid perovskites, i.e., whether they are free and band-like, or they are prone to self-trapping via short range deformation potentials. Unusually long minority-carrier diffusion lengths and moderate-to-low mobilities, together with relatively few deep defects add to their intrigue. Here we implement density functional methods to investigate the room-temperature, tetragonal phase of CH 3 NH 3 PbI 3 . We compare charge localization behavior at shallow levels and associated lattice relaxation versus those at deep polaronic states. The shallow level originates from screened Coulomb interaction between the perturbed host and an excited electron or hole. The host lattice has a tendency towards forming these shallow traps where the electron or hole is localized not too far from the band edge. In contrast, there is a considerable potential barrier that must be overcome in order to initiate polaronic hole trapping. The formation of a hole polaron (I 2 - center) involves strong lattice relaxation, including large off-center displacement of the organic cation, CH 3 NH 3 + . This type of deep polaron is energetically unfavorable, and active shallow traps are expected to shape the carrier dynamics in this material.

Clues from defect photochemistry

NASA Astrophysics Data System (ADS)

De Angelis, Filippo; Petrozza, Annamaria

2018-05-01

Charge carriers in metal halide perovskites seem to be only marginally affected by defect-related trap states. Filippo De Angelis and Annamaria Petrozza suggest that the key to this behaviour lies in the redox chemistry of halide defects.

Non-contact, non-destructive, quantitative probing of interfacial trap sites for charge carrier transport at semiconductor-insulator boundary

NASA Astrophysics Data System (ADS)

Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki; Saeki, Akinori; Yokoyama, Masaaki; Seki, Shu

2014-07-01

The density of traps at semiconductor-insulator interfaces was successfully estimated using microwave dielectric loss spectroscopy with model thin-film organic field-effect transistors. The non-contact, non-destructive analysis technique is referred to as field-induced time-resolved microwave conductivity (FI-TRMC) at interfaces. Kinetic traces of FI-TRMC transients clearly distinguished the mobile charge carriers at the interfaces from the immobile charges trapped at defects, allowing both the mobility of charge carriers and the number density of trap sites to be determined at the semiconductor-insulator interfaces. The number density of defects at the interface between evaporated pentacene on a poly(methylmethacrylate) insulating layer was determined to be 1012 cm-2, and the hole mobility was up to 6.5 cm2 V-1 s-1 after filling the defects with trapped carriers. The FI-TRMC at interfaces technique has the potential to provide rapid screening for the assessment of interfacial electronic states in a variety of semiconductor devices.

Uniformity and passivation research of Al2O3 film on silicon substrate prepared by plasma-enhanced atom layer deposition.

PubMed

Jia, Endong; Zhou, Chunlan; Wang, Wenjing

2015-01-01

Plasma-enhanced atom layer deposition (PEALD) can deposit denser films than those prepared by thermal ALD. But the improvement on thickness uniformity and the decrease of defect density of the films deposited by PEALD need further research. A PEALD process from trimethyl-aluminum (TMA) and oxygen plasma was investigated to study the influence of the conditions with different plasma powers and deposition temperatures on uniformity and growth rate. The thickness and refractive index of films were measured by ellipsometry, and the passivation effect of alumina on n-type silicon before and after annealing was measured by microwave photoconductivity decay method. Also, the effects of deposition temperature and annealing temperature on effective minority carrier lifetime were investigated. Capacitance-voltage and conductance-voltage measurements were used to investigate the interface defect density of state (D it) of Al2O3/Si. Finally, Al diffusion P(+) emitter on n-type silicon was passivated by PEALD Al2O3 films. The conclusion is that the condition of lower substrate temperature accelerates the growth of films and that the condition of lower plasma power controls the films' uniformity. The annealing temperature is higher for samples prepared at lower substrate temperature in order to get the better surface passivation effects. Heavier doping concentration of Al increased passivation quality after annealing by the effective minority carrier lifetime up to 100 μs.

Defect-mediated magnetism of transition metal doped zinc oxide thin films

NASA Astrophysics Data System (ADS)

Roberts, Bradley Kirk

Magnetism in transition metal doped wide band-gap materials is of interest to further the fundamental science of materials and future spintronics applications. Large inter-dopant separations require mediation of ferromagnetism by some method; carrier-mediated mechanisms are typically applicable to dilute magnetic semiconductors with low Curie temperatures. Dilute magnetic oxides, commonly with poor conductivity and TC above room temperature, cannot be described within this theory. Recent experiment and theory developments suggest that ferromagnetic exchange in these materials can be mediated by defects. This research includes experimental results justifying and developing this approach. Thin films of Cr doped ZnO (band gap ˜3.3 eV) were deposited with several processing variations to enhance the effects of either 0-dimensional (vacancy, hydrogen-related defect) or two-dimensional defects (surface/interface) and thereby affect magnetism and conductivity. We observe surface magnetism in dielectric thin films of oxygen-saturated ZnO:Cr with spontaneous magnetic moment and conductance dropping approximately exponentially with increasing thickness. Uniform defect concentrations would not result in such magnetic ordering behavior indicating that magnetism is mediated either by surface defects or differing concentrations of point defects near the surface. Polarized neutron reflectivity profiling confirms a magnetically active region of ˜8 nm at the film surface. Hydrogen is notoriously present as a defect and carrier dopant in ZnO, and artificial introduction of hydrogen in dielectric ZnO:Cr films results in varying electronic and magnetic behavior. Free carriers introduced with hydrogen doping are not spin-polarized requiring an alternative explanation for ferromagnetism. We find from positron annihilation spectroscopy measurements that hydrogen doping increases the concentration of an altered VZn-related defect (a preliminary interpretation) throughout the film, which is may be magnetically active as mediator. Measurements suggest that this defect contribution is strongest (or concentration higher) near the surface too. This study concerns the wide-gap oxide ZnO when doped with the transition metal Cr, below the percolation threshold, and subject to defects that mediate ferromagnetism independent of polarized free carriers. Ultimately, by adjusting the volumetric concentration of certain defects, ferromagnetic ordering in ZnO:Cr can be controlled. The potential applicability of novel theories of defect-mediated magnetism to this system is discussed.

Sodium adsorption and diffusion on monolayer black phosphorus with intrinsic defects

NASA Astrophysics Data System (ADS)

Sun, Xiaoli; Wang, Zhiguo

2018-01-01

Monolayer black phosphorus is a potential anode material for rechargeable ion batteries. In this work, the effects of intrinsic defects including mono-vacancy (MV), di-vacancy, and Stone-Wales (SW) defects on the adsorption and diffusion of sodium on monolayer black phosphorus were investigated using first-principles calculations. The adsorption energies for sodium on monolayer black phosphorus are in the range of -1.80 to -0.56 eV, which is lower than the value of -0.48 eV for sodium adsorbed on pristine monolayer phosphorus. This indicates that these defects can enhance the adsorption of sodium on monolayer black phosphorus. The diffusivity of sodium on monolayer phosphorus with SW and MV defects is 2.35 × 10-4-3.36 × 10-6 cm2/s, and 7.38 × 10-5-1.48 × 10-9 cm2/s, respectively. Although these values are smaller than that of the pristine monolayer phosphorus at 7.38 × 10-5 cm2/s, defects are inevitably introduced during these fabrication processes. These diffusivity values are reasonable for defective monolayer phosphorus used as an effective anode for sodium ion batteries.

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

NASA Astrophysics Data System (ADS)

Wallace, J. B.; Charnvanichborikarn, S.; Bayu Aji, L. B.; Myers, M. T.; Shao, L.; Kucheyev, S. O.

2015-10-01

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length is revealed by the dependence of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ˜4-13 ms and a diffusion length of ˜15-50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.

First-principles investigation of point defect and atomic diffusion in Al2Ca

NASA Astrophysics Data System (ADS)

Tian, Xiao; Wang, Jia-Ning; Wang, Ya-Ping; Shi, Xue-Feng; Tang, Bi-Yu

2017-04-01

Point defects and atomic diffusion in Al2Ca have been studied from first-principles calculations within density functional framework. After formation energy and relative stability of point defects are investigated, several predominant diffusion processes in Al2Ca are studied, including sublattice one-step mechanism, 3-jump vacancy cycles and antistructure sublattice mechanism. The associated energy profiles are calculated with climbing image nudged elastic band (CI-NEB) method, then the saddle points and activation barriers during atomic diffusion are further determined. The resulted activation barriers show that both Al and Ca can diffuse mainly mediated by neighbor vacancy on their own sublattice. 3-jump cycle mechanism mediated by VCa may make some contribution to the overall Al diffusion. And antistructure (AS) sublattice mechanism can also play an important role in Ca atomic diffusion owing to the moderate activation barrier.

Persistence time of charge carriers in defect states of molecular semiconductors.

PubMed

McMahon, David P; Troisi, Alessandro

2011-06-07

Charge carriers in organic crystals are often trapped in point defects. The persistence time of the charge in these defect states is evaluated by computing the escape rate from this state using non-adiabatic rate theory. Two cases are considered (i) the hopping between separate identical defect states and (ii) the hopping between a defect state and the bulk (delocalized) states. We show that only the second process is likely to happen with realistic defect concentrations and highlight that the inclusion of an effective quantum mode of vibration is essential for accurate computation of the rate. The computed persistence time as a function of the trap energy indicates that trap states shallower than ∼0.3 eV cannot be effectively investigated with some slow spectroscopic techniques such as THz spectroscopy or EPR commonly used to study the nature of excess charge in semiconductors.

Photo-electrical and transport properties of hydrothermal ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Onufrijevs, P., E-mail: onufrijevs@latnet.lv; Medvid, A.; Ščajev, P.

2016-04-07

We performed the studies of optical, photoelectric, and transport properties of a hydrothermal bulk n-type ZnO crystal by using the contactless optical techniques: photoluminescence, light-induced transient grating, and differential reflectivity. Optical studies revealed bound exciton and defect-related transitions between the donor states (at ∼60 meV and ∼240 meV below the conduction band) and the deep acceptor states (at 0.52 eV above the valence band). The acceptor state was ascribed to V{sub Zn}, and its thermal activation energy of 0.43 eV was determined. A low value of carrier diffusion coefficient (∼0.1 cm{sup 2}/s) at low excitations and temperatures up to 800 K was attributed to impact themore » recharged deep acceptors. Electron and hole mobilities of 140 and ∼80 cm{sup 2}/Vs, correspondently, were determined at room temperature. The decrease of carrier lifetime with excitation was ascribed to increasing rate of radiative recombination at low temperatures and nonradiative recombination above the room temperature.« less

Method and apparatus for determining minority carrier diffusion length in semiconductors

DOEpatents

Goldstein, Bernard; Dresner, Joseph; Szostak, Daniel J.

1983-07-12

Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon which has a significantly small minority carrier diffusion length using the constant-magnitude surface-photovoltage (SPV) method. An unmodulated illumination provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV. A vibrating Kelvin method-type probe electrode couples the SPV to a measurement system. The operating optical wavelength of an adjustable monochromator to compensate for the wavelength dependent sensitivity of a photodetector is selected to measure the illumination intensity (photon flux) on the silicon. Measurements of the relative photon flux for a plurality of wavelengths are plotted against the reciprocal of the optical absorption coefficient of the material. A linear plot of the data points is extrapolated to zero intensity. The negative intercept value on the reciprocal optical coefficient axis of the extrapolated linear plot is the diffusion length of the minority carriers.

LED lamp or bulb with remote phosphor and diffuser configuration with enhanced scattering properties

DOEpatents

Tong, Tao; Le Toquin, Ronan; Keller, Bernd; Tarsa, Eric; Youmans, Mark; Lowes, Theodore; Medendorp, Jr., Nicholas W; Van De Ven, Antony; Negley, Gerald

2014-11-11

An LED lamp or bulb is disclosed that comprises a light source, a heat sink structure and an optical cavity. The optical cavity comprises a phosphor carrier having a conversions material and arranged over an opening to the cavity. The phosphor carrier comprises a thermally conductive transparent material and is thermally coupled to the heat sink structure. An LED based light source is mounted in the optical cavity remote to the phosphor carrier with light from the light source passing through the phosphor carrier. A diffuser dome is included that is mounted over the optical cavity, with light from the optical cavity passing through the diffuser dome. The properties of the diffuser, such as geometry, scattering properties of the scattering layer, surface roughness or smoothness, and spatial distribution of the scattering layer properties may be used to control various lamp properties such as color uniformity and light intensity distribution as a function of viewing angle.

High and low energy proton radiation damage in p/n InP MOCVD solar cells

NASA Technical Reports Server (NTRS)

Rybicki, George; Weinberg, Irving; Scheiman, Dave; Vargas-Aburto, Carlos

1995-01-01

InP p(+)nn(+) MOCVD solar cells were irradiated with 0.2 MeV and 10 MeV protons to a fluence of 10(exp 13)/sq cm. The degradation of power output, IV behavior, carrier concentration and defect concentration were observed at intermediate points throughout the irradiations. The 0.2 MeV proton irradiated solar cells suffered much greater and more rapid degradation in power output than those irradiated with 10 meV protons. The efficiency losses were accompanied by larger increases in the recombination currents in the 0.2 MeV proton irradiated solar cells. The low energy proton irradiations also had a larger impact on the series resistance of the solar cells. Despite the radiation induced damage, the carrier concentration in the base of the solar cells showed no reduction after 10 MeV or 0.2 MeV proton irradiations and even increased during irradiation with 0.2 MeV protons. In a DLTS study of the irradiated samples, the minority carrier defects H4 and H5 at E(v) + 0.33 and E(v) + 0.52 eV and the majority carrier defects E7 and E10 at E(c)- 0.39 and E(c)-0.74 eV, were observed. The defect introduction rates for the 0.2 MeV proton irradiations were about 20 times higher than for the 10 MeV proton irradiations. The defect E10, observed here after irradiation, has been shown to act as a donor in irradiated n-type InP and may be responsible for obscuring carrier removal. The results of this study are consistent with the much greater damage produced by low energy protons whose limited range causes them to stop in the active region of the solar cell.

Enhanced hot-carrier cooling and ultrafast spectral diffusion in strongly coupled PbSe quantum-dot solids.

PubMed

Gao, Yunan; Talgorn, Elise; Aerts, Michiel; Trinh, M Tuan; Schins, Juleon M; Houtepen, Arjan J; Siebbeles, Laurens D A

2011-12-14

PbSe quantum-dot solids are of great interest for low cost and efficient photodetectors and solar cells. We have prepared PbSe quantum-dot solids with high charge carrier mobilities using layer-by-layer dip-coating with 1,2-ethanediamine as substitute capping ligands. Here we present a time and energy resolved transient absorption spectroscopy study on the kinetics of photogenerated charge carriers, focusing on 0-5 ps after photoexcitation. We compare the observed carrier kinetics to those for quantum dots in dispersion and show that the intraband carrier cooling is significantly faster in quantum-dot solids. In addition we find that carriers diffuse from higher to lower energy sites in the quantum-dot solid within several picoseconds.

Analysis of Recombination in CdTe Heterostructures With Time-Resolved Two-Photon Excitation Microscopy

DOE PAGES

Kuciauskas, Darius; Wernsing, Keith; Jensen, Soren Alkaersig; ...

2016-11-01

Here, we used time-resolved photoluminescence microscopy to analyze charge carrier transport and recombination in CdTe double heterostructures fabricated by molecular beam epitaxy (MBE). This allowed us to determine the charge carrier mobility in this system, which was found to be 500-625 cm 2/(V s). Charge carrier lifetimes in the 15-100 ns range are limited by the interface recombination, and the data indicate higher interface recombination velocity near extended defects. This study describes a new method to analyze the spatial distribution of the interface recombination velocity and the interface defects in semiconductor heterostructures.

Analysis of Recombination in CdTe Heterostructures With Time-Resolved Two-Photon Excitation Microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuciauskas, Darius; Wernsing, Keith; Jensen, Soren Alkaersig

Here, we used time-resolved photoluminescence microscopy to analyze charge carrier transport and recombination in CdTe double heterostructures fabricated by molecular beam epitaxy (MBE). This allowed us to determine the charge carrier mobility in this system, which was found to be 500-625 cm 2/(V s). Charge carrier lifetimes in the 15-100 ns range are limited by the interface recombination, and the data indicate higher interface recombination velocity near extended defects. This study describes a new method to analyze the spatial distribution of the interface recombination velocity and the interface defects in semiconductor heterostructures.

Vacancies and Vacancy-Mediated Self Diffusion in Cr 2 O 3 : A First-Principles Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medasani, Bharat; Sushko, Maria L.; Rosso, Kevin M.

Charged and neutral vacancies and vacancy mediated self diffusion in alpha-Cr2O3 were investigated using first principles density functional theory (DFT) and periodic supercell formalism. The vacancy formation energies of charged defects were calculated using the electrostatic finite-size corrections to account for electrostatic interactions between supercells and the corrections for the bandgap underestimation in DFT. Calculations predict that neutral oxygen (O) vacancies are predominant in chromium (Cr)-rich conditions and Cr vacancies with -2 charge state are the dominant defects in O-rich conditions. The charge transition levels of both O and Cr vacancies are deep within the bandgap indicating the stability ofmore » these defects. Transport calculations indicate that vacancy mediated diffusion along the basal plane has lower energy barriers for both O and Cr ions. The most favorable vacancy mediated self diffusion processes correspond to the diffusion of Cr ion in 3+ charge state and O ion in 2- state, respectively. Our calculations reveal that Cr triple defects comprised of Cr in octahedral interstitial sites with two adjacent Cr vacancies along the c-axis have a lower formation energy compared to that of charged Cr vacancies. The formation of such triple defects facilitate Cr self diffusion along the c-axis.« less

The Diffuse Interstellar Bands: Contributed papers

NASA Technical Reports Server (NTRS)

Tielens, Alexander G. G. M. (Editor)

1994-01-01

Drawing a coherent picture of the observational characteristics of the Diffuse Interstellar Bands (DIB's) and the physical and chemical properties of its proposed carriers was the focus of this NASA sponsored conference. Information relating to absoption spectra, diffuse radiation carriers, carbon compounds, stellar composition, and interstellar extinction involving T-Tauri stars, Reflection Nebulae, Red Giants, and accretion discs are discussed from those papers presented at the conference, which are included in this analytic.

Spatial variation in carrier dynamics along a single CdSSe nanowire

NASA Astrophysics Data System (ADS)

Blake, Jolie C.; Eldridge, Peter S.; Gundlach, Lars

2014-10-01

Ultrafast charge carrier dynamics along individual CdSxSe1-x nanowires has been measured. The use of an improved ultrafast Kerr-gated microscope allows for spatially resolved luminescence measurements along a single nanowire. Amplified spontaneous emission (ASE) was observed at high excitation fluences. Position dependent variations of ultrafast ASE dynamics were observed. SEM and colorimetric measurements showed that the difference in dynamics can be attributed to variations in non-radiative recombination rates along the wire. The dominant Shockley-Read recombination rate can be extracted from ASE dynamics and can be directly related to charge carrier mobility and defect density. Employing ASE as a probe for defect densities provides a new sub-micron spatially resolved, contactless method for measurements of charge carrier mobility.

Recombination dynamics of optically excited charge carriers in bulk MoS2

NASA Astrophysics Data System (ADS)

Völzer, Tim; Lütgens, Matthias; Fennel, Franziska; Lochbrunner, Stefan

2017-10-01

Transition metal dichalcogenides (TMDCs), such as MoS2, are promising candidates for optoelectronic or catalytic applications. On that account, a detailed characterization of the electronic dynamics in these materials is of pivotal importance. Here, we investigate the temporal evolution of an excited carrier population by all-optical pump-probe spectroscopy. On the sub-picosecond time scale we observe thermal relaxation of the excited carriers by electron-phonon coupling. The dynamics on the nanosecond time scale can be understood in terms of defect-assisted Auger recombination over a broad carrier density regime spanning more than one order of magnitude. Hence, our results emphasize the importance of defect states for electronic processes in TMDCs at room temperature.

Lateral carrier diffusion in InGaAs/GaAs coupled quantum dot-quantum well system

NASA Astrophysics Data System (ADS)

Pieczarka, M.; Syperek, M.; Biegańska, D.; Gilfert, C.; Pavelescu, E. M.; Reithmaier, J. P.; Misiewicz, J.; Sek, G.

2017-05-01

The lateral carrier diffusion process is investigated in coupled InGaAs/GaAs quantum dot-quantum well (QD-QW) structures by means of spatially resolved photoluminescence spectroscopy at low temperature. Under non-resonant photo-excitation above the GaAs bandgap, the lateral carrier transport reflected in the distorted electron-hole pair emission profiles is found to be mainly governed by high energy carriers created within the 3D density of states of GaAs. In contrast, for the case of resonant excitation tuned to the QW-like ground state of the QD-QW system, the emission profiles remain unaffected by the excess kinetic energy of carriers and local phonon heating within the pump spot. The lateral diffusion lengths are determined and present certain dependency on the coupling strength between QW and QDs. While for a strongly coupled structure the diffusion length is found to be around 0.8 μm and monotonically increases up to 1.4 μm with the excitation power density, in weakly coupled structures, it is determined to ca. 1.6 μm and remained virtually independent of the pumping power density.

Oxygen self-diffusion mechanisms in monoclinic Zr O2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations

NASA Astrophysics Data System (ADS)

Yang, Jing; Youssef, Mostafa; Yildiz, Bilge

2018-01-01

In this work, we quantify oxygen self-diffusion in monoclinic-phase zirconium oxide as a function of temperature and oxygen partial pressure. A migration barrier of each type of oxygen defect was obtained by first-principles calculations. Random walk theory was used to quantify the diffusivities of oxygen interstitials by using the calculated migration barriers. Kinetic Monte Carlo simulations were used to calculate diffusivities of oxygen vacancies by distinguishing the threefold- and fourfold-coordinated lattice oxygen. By combining the equilibrium defect concentrations obtained in our previous work together with the herein calculated diffusivity of each defect species, we present the resulting oxygen self-diffusion coefficients and the corresponding atomistically resolved transport mechanisms. The predicted effective migration barriers and diffusion prefactors are in reasonable agreement with the experimentally reported values. This work provides insights into oxygen diffusion engineering in Zr O2 -related devices and parametrization for continuum transport modeling.

Profiling of Current Transients in Capacitor Type Diamond Sensors.

PubMed

Gaubas, Eugenijus; Ceponis, Tomas; Meskauskaite, Dovile; Kazuchits, Nikolai

2015-06-08

The operational characteristics of capacitor-type detectors based on HPHT and CVD diamond have been investigated using perpendicular and parallel injection of carrier domain regimes. Simulations of the drift-diffusion current transients have been implemented by using dynamic models based on Shockley-Ramo's theorem, under injection of localized surface domains and of bulk charge carriers. The bipolar drift-diffusion regimes have been analyzed for the photo-induced bulk domain (packet) of excess carriers. The surface charge formation and polarization effects dependent on detector biasing voltage have been revealed. The screening effects ascribed to surface charge and to dynamics of extraction of the injected bulk excess carrier domain have been separated and explained. The parameters of drift mobility of the electrons μ(e) = 4000 cm2/Vs and holes μ(h) = 3800 cm2/Vs have been evaluated for CVD diamond using the perpendicular profiling of currents. The coefficient of carrier ambipolar diffusion D(a) = 97 cm2/s and the carrier recombination lifetime τ(R,CVD) ≌ 110 ns in CVD diamond were extracted by combining analysis of the transients of the sensor current and the microwave probed photoconductivity. The carrier trapping with inherent lifetime τR,HPHT ≌ 2 ns prevails in HPHT diamond.

Non-radiative carrier recombination enhanced by two-level process: A first-principles study

DOE PAGES

Yang, Ji -Hui; Shi, Lin; Wang, Lin -Wang; ...

2016-02-16

In this study, non-radiative recombination plays an important role in the performance of optoelectronic semiconductor devices such as solar cells and light-emitting diodes. Most textbook examples assume that the recombination process occurs through a single defect level, where one electron and one hole are captured and recombined. Based on this simple picture, conventional wisdom is that only defect levels near the center of the bandgap can be effective recombination centers. Here, we present a new two-level recombination mechanism: first, one type of carrier is captured through a defect level forming a metastable state; then the local defect configuration rapidly changesmore » to a stable state, where the other type of carrier is captured and recombined through another defect level. This novel mechanism is applied to the recombination center Te 2+ cd in CdTe. We show that this two-level process can significantly increase the recombination rate (by three orders of magnitude) in agreement with experiments. We expect that this two-level recombination process can exist in a wide range of semiconductors, so its effect should be carefully examined in characterizing optoelectronic materials.« less

Influence of defects on the thermoelectricity in SnSe: A comprehensive theoretical study

NASA Astrophysics Data System (ADS)

Zhou, Yecheng; Li, Wei; Wu, Minghui; Zhao, Li-Dong; He, Jiaqing; Wei, Su-Huai; Huang, Li

2018-06-01

SnSe has emerged as an efficient and fascinating thermoelectric material. A fundamental understanding of the effects and nature of intrinsic defects and dopants in SnSe is crucial to optimize its thermoelectric performance. In this paper, we perform first-principles calculations to examine the native and extrinsic point-defect properties in SnSe. We show that the easy formation of acceptorlike Sn vacancy (VSn) is responsible for the p -type conductivity in intrinsic SnSe. We also propose a mechanism and explain the anomalous temperature dependence of the carrier concentration in intrinsic SnSe crystals. Concerning the extrinsic defects, we focus on the dopants used in experiments. We find that Na (Ag) substitution on Sn site, NaSn (AgSn), acts as acceptor, whereas, substitutional BrSe, ISe, and BiSn dopants act as donor. It is shown that for Ag doping, its carrier concentration will be saturated with increasing doping concentration due to the coexistence of compensated defects (Agi and AgSn). Furthermore, we analyze how this doping introduced carrier impact on their thermoelectric characteristics. It is found that the more efficient doping of Na, Br, and I can realize higher Z T .

The K 2S 2O 8-KOH photoetching system for GaN

NASA Astrophysics Data System (ADS)

Weyher, J. L.; Tichelaar, F. D.; van Dorp, D. H.; Kelly, J. J.; Khachapuridze, A.

2010-09-01

A recently developed photoetching system for n-type GaN, a KOH solution containing the strong oxidizing agent potassium peroxydisulphate (K 2S 2O 8), was studied in detail. By careful selection of the etching parameters, such as the ratio of components and the hydrodynamics, two distinct modes were defined: defect-selective etching (denoted by KSO-D) and polishing (KSO-P). Both photoetching methods can be used under open-circuit (electroless) conditions. Well-defined dislocation-related etch whiskers are formed during KSO-D etching. All types of dislocations are revealed, and this was confirmed by cross-sectional TEM examination of the etched samples. Extended electrically active defects are also clearly revealed. The known relationship between etch rate and carrier concentration for photoetching of GaN in KOH solutions was confirmed for KSO-D etch using Raman measurements. It is shown that during KSO-P etching diffusion is the rate-limiting step, i.e. this etch is suitable for polishing of GaN. Some constraints of the KSO etching system for GaN are discussed and peculiar etch features, so far not understood, are described.

Revealing Charge Transport Mechanisms in Li 2 S 2 for Li–Sulfur Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zhixiao; Balbuena, Perla B.; Mukherjee, Partha P.

Besides lithium sulfide (Li 2S), lithium persulfide (Li 2S 2) is another solid discharge product in lithium-sulfur (Li-S) batteries. Revealing the charge transport mechanism in the discharge products is important for developing an effective strategy to improve the performance of Li-S batteries. Li 2S 2 cannot transport free electrons due to its wide bandgap between the valence band maximum (VBM) and conduction band minimum (VBM). However, electron polarons (p -) and hole polarons (p +) can appear in solid Li 2S 2 due to the unique molecular orbital structure of the S 2 2- anion. The thermodynamic and kinetic propertiesmore » of native defects are investigated. It is found that negatively charged Li vacancies (V Li-) and p + are the main native defects with a low formation energy of 0.77 eV. The predominant charge carrier is p + because p + has a high mobility. Thus, the electronic conductivity related to p + diffusion is dependent on temperature, and high temperatures are preferred to increase the conductivity.« less

Revealing Charge Transport Mechanisms in Li 2 S 2 for Li–Sulfur Batteries

DOE PAGES

Liu, Zhixiao; Balbuena, Perla B.; Mukherjee, Partha P.

2017-03-06

Besides lithium sulfide (Li 2S), lithium persulfide (Li 2S 2) is another solid discharge product in lithium-sulfur (Li-S) batteries. Revealing the charge transport mechanism in the discharge products is important for developing an effective strategy to improve the performance of Li-S batteries. Li 2S 2 cannot transport free electrons due to its wide bandgap between the valence band maximum (VBM) and conduction band minimum (VBM). However, electron polarons (p -) and hole polarons (p +) can appear in solid Li 2S 2 due to the unique molecular orbital structure of the S 2 2- anion. The thermodynamic and kinetic propertiesmore » of native defects are investigated. It is found that negatively charged Li vacancies (V Li-) and p + are the main native defects with a low formation energy of 0.77 eV. The predominant charge carrier is p + because p + has a high mobility. Thus, the electronic conductivity related to p + diffusion is dependent on temperature, and high temperatures are preferred to increase the conductivity.« less

First-principles study of fission gas incorporation and migration in zirconium nitride

DOE PAGES

Mei, Zhi-Gang; Liang, Linyun; Yacout, Abdellatif M.

2017-03-24

To evaluate the effectiveness of ZrN as a diffusion barrier against fission gases, we investigate in this paper the incorporation and migration of fission gas atoms, with a focus on Xe, in ZrN by first-principles calculations. The formations of point defects in ZrN, including vacancies, interstitials, divacancies, Frenkel pairs, and Schottky defects, are first studied. Among all the defects, the Schottky defect with two vacancies as first nearest neighbor is predicted to be the most favorable incorporation site for fission gas Xe in ZrN. The migration of Xe gas atom in ZrN is investigated through two diffusion mechanisms, i.e., interstitialmore » and vacancy-assisted diffusions. The migration barrier of Xe gas atom through the intrinsic interstitials in ZrN is considerably lower than that through vacancies. Finally, therefore, at low temperatures fission gas Xe atoms diffuse mainly through interstitials in single crystal ZrN, whereas at high temperatures Xe may diffuse in ZrN assisted by vacancies.« less

Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon

NASA Astrophysics Data System (ADS)

Ziebarth, Benedikt; Mrovec, Matous; Elsässer, Christian; Gumbsch, Peter

2015-09-01

The efficiency of silicon (Si)-based solar cells is strongly affected by crystal defects and impurities. Metallic impurities, in particular interstitial iron (Fe) atoms, cause large electric losses because they act as recombination centers for photogenerated charge carriers. Here, we present a systematic first-principles density functional theory (DFT) study focusing on the influence of hydrostatic, uniaxial, and shear strains on the thermodynamic stability and the diffusivity of Fe impurities in crystalline Si. Our calculations show that the formation energy of neutral Fe interstitials in tetrahedral interstitial sites is almost unaffected by uniform deformations of the Si crystal up to strains of 5%. In contrast, the migration barrier varies significantly with strain, especially for hydrostatic deformation. In order to determine effective diffusion coefficients for different strain states, a kinetic Monte Carlo (kMC) model was set up based on the activation energy barriers and frequency factors obtained from the DFT simulations. By using the strain dependence of the migration barrier, we examined the migration of Fe interstitials in the vicinity of perfect 1 /2 <110 > screw and 60∘ mixed dislocations, and 1 /6 <112 > 90∘ and 30∘ partial dislocations. While the strain field of the perfect screw dislocation always enhances the local Fe diffusion, the existence of tensile and compressive regions around the 60∘ mixed dislocation results in a strong anisotropic diffusion profile with significantly faster and slower diffusivities on its tensile and compressive sides. The influences of the partial dislocations are qualitatively similar to that of the 60∘ mixed dislocation.

Characterization of Nanostructured Semiconductors by Ultrafast Luminescence Imaging

NASA Astrophysics Data System (ADS)

Blake, Jolie

Single nanostructures are predicted to be the building blocks of next generation devices and have already been incorporated into prototypes for solar cells, biomedical devices and lasers. Their role in such applications requires a fundamental understanding of their opto-electronic properties and in particular the charge carrier dynamics occurring on an ultrafast timescale. Luminescence detection is a common approach used to investigate electronic properties of nanostructures because of the contact-less nature of these methods. They are, however, often not equipped to efficiently measure multiple single nanostructures nor do they have the temporal resolution necessary for observing femtosecond dynamics. This dissertation intends to address this paucity of techniques available for the contact-less measurement of single nanostructures through the development of an ultrafast wide-field Kerr-gated microscope system and measurement technique. The setup, operational in both the steady state and transient mode and capable of microscopic and spectroscopic measurements, was developed to measure the transient luminescence of single semiconductor nanostructures. With sub micron spatial resolution and the potential to achieve a temporal resolution greater than 90 fs, the system was used to probe the charge carrier dynamics at multiple discrete locations on single nanowires exhibiting amplified spontaneous emission. Using a rate model for amplified spontaneous emission, the transient emission data was fitted to extract the values of the competing Shockley-Read-Hall, non-geminate and Auger recombination constants. The capabilities of the setup were first demonstrated in the visible detection range, where single nanowires of the ternary alloy CdS x Se1-x were measured. The temporal emission dynamics at two separate locations were compared and calculation of the Langevin mobility revealed that the large carrier densities generated in the nanowire allows access to non-diffusion controlled recombination. In the second phase of this study the setup was configured to the ultraviolet detection range for measuring the nanowires of conductive metal oxides. ZnO was the metal oxide of focus in this research. Ultrafast measurements were conducted on ZnO nanowires and ASE dynamics from multiple regions along a nanowire were again fitted to the ASE model and the recombination constants extracted. The diminished influence of the Shockley-Read-Hall recombination rate on the measured luminescence suggested that leading quadratic term in the model is a measure of a two-body defect mediated recombination rate, from which a defect density could be calculated. The measured change in defect density along the length of the nanowire correlated with changes in the growth conditions that established a defect gradient. The results show that the Kerr-gated system, as well as being a probe of ultrafast dynamics, is also a new tool for measuring changes in defect density in single nanostructures.

Thermally grown oxide and diffusions for automatic processing of integrated circuits

NASA Technical Reports Server (NTRS)

Kennedy, B. W.

1979-01-01

A totally automated facility for semiconductor oxidation and diffusion was developed using a state-of-the-art diffusion furnace and high temperature grown oxides. Major innovations include: (1) a process controller specifically for semiconductor processing; (2) an automatic loading system to accept wafers from an air track, insert them into a quartz carrier and then place the carrier on a paddle for insertion into the furnace; (3) automatic unloading of the wafers back onto the air track, and (4) boron diffusion using diborane with plus or minus 5 percent uniformity. Processes demonstrated include Wet and dry oxidation for general use and for gate oxide, boron diffusion, phosphorous diffusion, and sintering.

Reversible Strain-Induced Electron-Hole Recombination in Silicon Nanowires Observed with Femtosecond Pump-Probe Microscopy

DTIC Science & Technology

2014-01-01

devices with indirect-bandgap materials such as silicon . KEYWORDS: Ultrafast imaging , strained nanomaterials, spectroscopy Lattice strain produced by...photogenerated charge cloud as a result of carrier diffusion . Normalized carrier profiles, generated by integrating the images along the direction normal to the...To test this idea, Figure 2. Charge carrier diffusion in a Si NW locally strained by a bending deformation (A) SEM image of a bent Si nanowire ∼100

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Myers, M. T.; Charnvanichborikarn, S.

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length is revealed by the dependencemore » of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ∼4–13 ms and a diffusion length of ∼15–50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.« less

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Charnvanichborikarn, S.; Bayu Aji, L. B.

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here in this paper, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length ismore » revealed by the dependence of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ~4–13 ms and a diffusion length of ~15–50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.« less

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

DOE PAGES

Wallace, J. B.; Charnvanichborikarn, S.; Bayu Aji, L. B.; ...

2015-10-06

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here in this paper, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length ismore » revealed by the dependence of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ~4–13 ms and a diffusion length of ~15–50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.« less

Self-regulation of charged defect compensation and formation energy pinning in semiconductors

PubMed Central

Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang; Wei, Su-Huai

2015-01-01

Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglement of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators. PMID:26584670

Non-contact, non-destructive, quantitative probing of interfacial trap sites for charge carrier transport at semiconductor-insulator boundary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki

The density of traps at semiconductor–insulator interfaces was successfully estimated using microwave dielectric loss spectroscopy with model thin-film organic field-effect transistors. The non-contact, non-destructive analysis technique is referred to as field-induced time-resolved microwave conductivity (FI-TRMC) at interfaces. Kinetic traces of FI-TRMC transients clearly distinguished the mobile charge carriers at the interfaces from the immobile charges trapped at defects, allowing both the mobility of charge carriers and the number density of trap sites to be determined at the semiconductor-insulator interfaces. The number density of defects at the interface between evaporated pentacene on a poly(methylmethacrylate) insulating layer was determined to be 10{supmore » 12 }cm{sup −2}, and the hole mobility was up to 6.5 cm{sup 2} V{sup −1} s{sup −1} after filling the defects with trapped carriers. The FI-TRMC at interfaces technique has the potential to provide rapid screening for the assessment of interfacial electronic states in a variety of semiconductor devices.« less

Resistivity, carrier trapping, and polarization phenomenon in semiconductor radiation detection materials

NASA Astrophysics Data System (ADS)

Du, Mao-Hua; Biswas, Koushik; Singh, David J.

2012-10-01

In this paper, we report theoretical studies of native defects and dopants in a number of room-temperature semiconductor radiation detection materials, i.e., CdTe, TlBr, and Tl6SeI4. We address several important questions, such as what causes high resistivity in these materials, what explains good μτ product (carrier mobility-lifetime product) in soft-lattice ionic compounds that have high defect density, and how to obtain high resistivity and low carrier trapping simultaneously. Our main results are: (1) shallow donors rather than deep ones are responsible for high resistivity in high-quality detectorgrade CdTe; (2) large dielectric screening and the lack of deep levels from low-energy native defects may contribute to the good μτ products for both electrons and holes in TlBr; (3) the polarization phenomenon in Tl6SeI4 is expected to be much reduced compared to that in TlBr.

Identification of dominant scattering mechanism in epitaxial graphene on SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Jingjing; Guo, Liwei, E-mail: lwguo@iphy.ac.cn, E-mail: chenx29@aphy.iphy.ac.cn; Jia, Yuping

2014-05-05

A scheme of identification of scattering mechanisms in epitaxial graphene (EG) on SiC substrate is developed and applied to three EG samples grown on SiC (0001), (112{sup ¯}0), and (101{sup ¯}0) substrates. Hall measurements combined with defect detection technique enable us to evaluate the individual contributions to the carrier scatterings by defects and by substrates. It is found that the dominant scatterings can be due to either substrate or defects, dependent on the substrate orientations. The EG on SiC (112{sup ¯}0) exhibits a better control over the two major scattering mechanisms and achieves the highest mobility even with a highmore » carrier concentration, promising for high performance graphene-based electronic devices. The method developed here will shed light on major aspects in governing carrier transport in EG to harness it effectively.« less

Detection of deep-level defects and reduced carrier concentration in Mg-ion-implanted GaN before high-temperature annealing

NASA Astrophysics Data System (ADS)

Akazawa, Masamichi; Yokota, Naoshige; Uetake, Kei

2018-02-01

We report experimental results for the detection of deep-level defects in GaN after Mg ion implantation before high-temperature annealing. The n-type GaN samples were grown on GaN free-standing substrates by metalorganic vapor phase epitaxy. Mg ions were implanted at 50 keV with a small dosage of 1.5×1011 cm-2, which did not change the conduction type of the n-GaN. By depositing Al2O3 and a Ni/Au electrode onto the implanted n-GaN, metal-oxide-semiconductor (MOS) diodes were fabricated and tested. The measured capacitance-voltage (C-V) characteristics showed a particular behavior with a plateau region and a region with an anomalously steep slope. Fitting to the experimental C-V curves by simulation showed the existence of deep-level defects and a reduction of the carrier concentration near the GaN surface. By annealing at 800oC, the density of the deep-level defects was reduced and the carrier concentration partially recovered.

Optical characterization of wide-gap detector-grade semiconductors

NASA Astrophysics Data System (ADS)

Elshazly, Ezzat S.

Wide bandgap semiconductors are being widely investigated because they have the potential to satisfy the stringent material requirements of high resolution, room temperature gamma-ray spectrometers. In particular, Cadmium Zinc Telluride (Cd1-xZnxTe, x˜0.1) and Thallium Bromide (TlBr), due to their combination of high resistivity, high atomic number and good electron mobility, have became very promising candidates for use in X- and gamma-ray detectors operating at room temperature. In this study, carrier trapping times were measured in CZT and TlBr as a function of temperature and material quality. Carrier lifetimes and tellurium inclusion densities were measured in detector-grade Cadmium Zinc Telluride (CZT) crystals grown by the High Pressure Bridgman method and Modified Bridgman method. Excess carriers were produced in the material using a pulsed YAG laser with a 1064nm wavelength and 7ns pulse width. Infrared microscopy was used to measure the tellurium defect densities in CZT crystals. The electronic decay was optically measured at room temperature. Spatial mapping of lifetimes and defect densities in CZT was performed to determine the relationship between defect density and electronic decay. A significant and strong correlation was found between the volume fraction of tellurium inclusions and the carrier trapping time. Carrier trapping times and tellurium inclusions were measured in CZT in the temperature range from 300K to 110K and the results were analyzed using a theoretical trapping model. Spatial mapping of carrier trapping times and defect densities in CZT was performed to determine the relationship between defect density and electronic decay. While a strong correlation between trapping time and defect density of tellurium inclusions was observed, there was no significant change in the trap energy. Carrier trapping times were measured in detector grade thallium bromide (TlBr) and compared with the results for cadmium zinc telluride (CZT) in a temperature range from 300K to 110K. The experimental data was analyzed using a trapping model. In CZT, because the majority carrier concentration is close to the intrinsic carrier concentration, the trapping time increases exponentially as the temperature decreases below about 160K. While, in TlBr, the majority carrier concentration is many orders of magnitude greater than the intrinsic carrier concentration and the trapping time followed a 1T temperature dependence over the range of temperatures studied. The results of the model suggest that a moderately deep compensation center, located approximately 200 meV from the middle of the bandgap, could be used to significantly increase the room temperature trapping time in TlBr. The results of this model demonstrate that the room temperature trapping time in TlBr can, in principle, approach 0.1ms through the introduction of a moderately deep compensation level but without decreasing the overall trap concentration. This strategy is not possible in CZT, because the band gap is too small to use a moderately deep compensation level while still maintaining high material resistivity. Carrier trapping times were measured in three polycrystalline TlBr samples produced by melting commercial TlBr beads in a sealed quartz ampoule for two hours at three different temperatures near the melting point. The trapping time decreased with increasing melting temperature, presumably due to the thermal generation of a trap state.

Controllable Growth of Perovskite Films by Room-Temperature Air Exposure for Efficient Planar Heterojunction Photovoltaic Cells.

PubMed

Yang, Bin; Dyck, Ondrej; Poplawsky, Jonathan; Keum, Jong; Das, Sanjib; Puretzky, Alexander; Aytug, Tolga; Joshi, Pooran C; Rouleau, Christopher M; Duscher, Gerd; Geohegan, David B; Xiao, Kai

2015-12-01

A two-step solution processing approach has been established to grow void-free perovskite films for low-cost high-performance planar heterojunction photovoltaic devices. A high-temperature thermal annealing treatment was applied to drive the diffusion of CH3NH3I precursor molecules into a compact PbI2 layer to form perovskite films. However, thermal annealing for extended periods led to degraded device performance owing to the defects generated by decomposition of perovskite into PbI2. A controllable layer-by-layer spin-coating method was used to grow "bilayer" CH3NH3I/PbI2 films, and then drive the interdiffusion between PbI2 and CH3NH3I layers by a simple air exposure at room temperature for making well-oriented, highly crystalline perovskite films without thermal annealing. This high degree of crystallinity resulted in a carrier diffusion length of ca. 800 nm and a high device efficiency of 15.6%, which is comparable to values reported for thermally annealed perovskite films. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Design principles for high efficiency small-grain polysilicon solar cells, with supporting experimental studies

NASA Technical Reports Server (NTRS)

Lindholm, F. A.; Neugroschel, A.; Sah, C. T.

1982-01-01

Design principles suggested here aim toward high conversion efficiency (greater than 15 percent) in polysilicon cells. The principles seek to decrease the liabilities of both intragranular and grain-boundary-surface defects. The advantages of a phosphorus atom concentration gradient in a thin (less than 50 microns) base of a p(+)/n(x)/n(+) drift-field solar cell, which produces favorable gradients in chemical potential, minority-carrier mobility and diffusivity, and recombination lifetime (via phosphorus gettering) are suggested. The degrading effects of grain boundaries are reduced by these three gradients and by substituting atoms (P, H, F or Li) for vacancies on the grain-boundary surface. From recent experiments comes support for the benefits of P diffusion down grain boundaries and, for quasi-grain-boundary-free and related structures. New analytic solutions for the n(x)-base include the effect of a power-law dependence between P concentration and lifetime. These provide an upper-bound estimate on the open circuit voltage. Finite-difference numerical solutions of the six Shockley equations furnish complete information about all solar-cell parameters and add insight concerning design.

Recombination properties of dislocations in GaN

NASA Astrophysics Data System (ADS)

Yakimov, Eugene B.; Polyakov, Alexander Y.; Lee, In-Hwan; Pearton, Stephen J.

2018-04-01

The recombination activity of threading dislocations in n-GaN with different dislocation densities and different doping levels was studied using electron beam induced current (EBIC). The recombination velocity on a dislocation, also known as the dislocation recombination strength, was calculated. The results suggest that dislocations in n-GaN giving contrast in EBIC are charged and surrounded by a space charge region, as evidenced by the observed dependence of dislocation recombination strength on dopant concentration. For moderate (below ˜108 cm-2) dislocation densities, these defects do not primarily determine the average diffusion length of nonequilibrium charge carriers, although locally, dislocations are efficient recombination sites. In general, it is observed that the effect of the growth method [standard metalorganic chemical vapor deposition (MOCVD), epitaxial lateral overgrowth versions of MOCVD, and hydride vapor phase epitaxy] on the recombination activity of dislocations is not very pronounced, although the average diffusion lengths can widely differ for various samples. The glide of basal plane dislocations at room temperature promoted by low energy electron irradiation does not significantly change the recombination properties of dislocations.

X-ray diffraction, Raman, and photoacoustic studies of ZnTe nanocrystals

NASA Astrophysics Data System (ADS)

Ersching, K.; Campos, C. E. M.; de Lima, J. C.; Grandi, T. A.; Souza, S. M.; da Silva, D. L.; Pizani, P. S.

2009-06-01

Nanocrystalline ZnTe was prepared by mechanical alloying. X-ray diffraction (XRD), energy dispersive spectroscopy, Raman spectroscopy, and photoacoustic absorption spectroscopy techniques were used to study the structural, chemical, optical, and thermal properties of the as-milled powder. An annealing of the mechanical alloyed sample at 590 °C for 6 h was done to investigate the optical properties in a defect-free sample (close to bulk form). The main crystalline phase formed was the zinc-blende ZnTe, but residual trigonal tellurium and hexagonal ZnO phases were also observed for both as-milled and annealed samples. The structural parameters, phase fractions, average crystallite sizes, and microstrains of all crystalline phases were obtained from Rietveld analyses of the X-ray patterns. Raman results corroborate the XRD results, showing the longitudinal optical phonons of ZnTe (even at third order) and those modes of trigonal Te. Nonradiative surface recombination and thermal bending heat transfer mechanisms were proposed from photoacoustic analysis. An increase in effective thermal diffusivity coefficient was observed after annealing and the carrier diffusion coefficient, the surface recombination velocity, and the recombination time parameters remained the same.

47 CFR 1.746 - Defective applications.

Code of Federal Regulations, 2011 CFR

2011-10-01

..., and Reports Involving Common Carriers Applications § 1.746 Defective applications. (a) Applications... will be accepted for filing and consideration if accompanied by petition showing good cause for waiver...

47 CFR 1.746 - Defective applications.

Code of Federal Regulations, 2010 CFR

2010-10-01

..., and Reports Involving Common Carriers Applications § 1.746 Defective applications. (a) Applications... will be accepted for filing and consideration if accompanied by petition showing good cause for waiver...

Evidence-based approach to assess passive diffusion and carrier-mediated drug transport.

PubMed

Di, Li; Artursson, Per; Avdeef, Alex; Ecker, Gerhard F; Faller, Bernard; Fischer, Holger; Houston, J Brian; Kansy, Manfred; Kerns, Edward H; Krämer, Stefanie D; Lennernäs, Hans; Sugano, Kiyohiko

2012-08-01

Evidence supporting the action of passive diffusion and carrier-mediated (CM) transport in drug bioavailability and disposition is discussed to refute the recently proposed theory that drug transport is CM-only and that new transporters will be discovered that possess transport characteristics ascribed to passive diffusion. Misconceptions and faulty speculations are addressed to provide reliable guidance on choosing appropriate tools for drug design and optimization. Copyright © 2012 Elsevier Ltd. All rights reserved.

Grain Boundaries Act as Solid Walls for Charge Carrier Diffusion in Large Crystal MAPI Thin Films.

PubMed

Ciesielski, Richard; Schäfer, Frank; Hartmann, Nicolai F; Giesbrecht, Nadja; Bein, Thomas; Docampo, Pablo; Hartschuh, Achim

2018-03-07

Micro- and nanocrystalline methylammonium lead iodide (MAPI)-based thin-film solar cells today reach power conversion efficiencies of over 20%. We investigate the impact of grain boundaries on charge carrier transport in large crystal MAPI thin films using time-resolved photoluminescence (PL) microscopy and numerical model calculations. Crystal sizes in the range of several tens of micrometers allow for the spatially and time resolved study of boundary effects. Whereas long-ranged diffusive charge carrier transport is observed within single crystals, no detectable diffusive transport occurs across grain boundaries. The observed PL transients are found to crucially depend on the microscopic geometry of the crystal and the point of observation. In particular, spatially restricted diffusion of charge carriers leads to slower PL decay near crystal edges as compared to the crystal center. In contrast to many reports in the literature, our experimental results show no quenching or additional loss channels due to grain boundaries for the studied material, which thus do not negatively affect the performance of the derived thin-film devices.

Mapping carrier diffusion in single silicon core-shell nanowires with ultrafast optical microscopy.

PubMed

Seo, M A; Yoo, J; Dayeh, S A; Picraux, S T; Taylor, A J; Prasankumar, R P

2012-12-12

Recent success in the fabrication of axial and radial core-shell heterostructures, composed of one or more layers with different properties, on semiconductor nanowires (NWs) has enabled greater control of NW-based device operation for various applications. (1-3) However, further progress toward significant performance enhancements in a given application is hindered by the limited knowledge of carrier dynamics in these structures. In particular, the strong influence of interfaces between different layers in NWs on transport makes it especially important to understand carrier dynamics in these quasi-one-dimensional systems. Here, we use ultrafast optical microscopy (4) to directly examine carrier relaxation and diffusion in single silicon core-only and Si/SiO(2) core-shell NWs with high temporal and spatial resolution in a noncontact manner. This enables us to reveal strong coherent phonon oscillations and experimentally map electron and hole diffusion currents in individual semiconductor NWs for the first time.

Compositional and Ionic-Size Controls on the Diffusion of Divalent Cations in Garnet: Insights from Atomistic Simulations

NASA Astrophysics Data System (ADS)

Carlson, W. D.

2012-12-01

Divalent cations in garnet (Mg, Fe, Mn, Ca) diffuse at rates that depend strongly on the host-crystal composition and on the ionic radius of the diffusant. Understanding of the nanoscale basis for these behaviors comes from atomistic simulations that calculate energies in the static limit for the defects and transition-state configurations associated with each diffusive step. Diffusion of divalent cations requires (a) creation of a cation-vacancy defect in a dodecahedral site and of a charge-compensating oxygen-vacancy defect that may or may not be in close spatial association; (b) except in the case of self-diffusion, creation of an impurity defect in which a foreign atom replaces the normal atom in a dodecahedral site adjacent to the vacancy; and (c) during the diffusive process, motion of the diffusing atom to a 'saddlepoint' position that represents the transition-state configuration. Comparisons of the system's energy in these various states, in structures of different composition and for ions of different ionic size, allows assessment of the nanoscale controls on diffusion kinetics. Molecular-statics calculations quantify defect energies and identify the transition-state configuration: the maximum energy along the diffusion path between two adjacent dodecahedral sites results when the diffusing ion is surrounded symmetrically by the six oxygen atoms that lie between the two sites. Across the range of end-member compositions, self-diffusion coefficients measured at identical conditions, and the tracer diffusivity of a single ion measured at identical conditions, can each vary by five orders of magnitude or more. Measured activation energies for these motions, however, are all equivalent to within ±6%. Calculated activation energies are in agreement with observations, in that they vary by only ±10%. Calculated vacancy-formation energies, on the other hand, are significantly larger in expanded structures; for example, that energy is greater for Prp than for Grs by ~ 470 kJ/mol. Thus in expanded structures, much higher vacancy concentrations can be produced at the same energetic cost, greatly enhancing rates of diffusion. The primary explanation for the more rapid diffusion of divalent cations in structures with larger cell dimensions therefore comes not from reduced saddlepoint strain energies in more compliant structures, but instead from the smaller energy required to create vacancy defects. Diffusivities of divalent cations exhibit a curious parabolic dependence on ionic size: for each structure, an optimally-sized ion exists, close in size to the dominant ion, that exhibits the fastest diffusion. Larger ions — and enigmatically, smaller ions — both diffuse more slowly. Calculated impurity-defect energies show that undersized impurity ions are bound more tightly in their sites, but the effects are too small in comparison to corresponding reductions in strain energy for the transition-state configuration to account for observed rate differences. Calculated vacancy-association energies reveal a slight tendency for vacancies to associate preferentially with larger impurity ions, but again the effect appears to be too small to provide a full explanation for observed behaviors.

A Hydrodynamic Theory for Spatially Inhomogeneous Semiconductor Lasers. 2; Numerical Results

NASA Technical Reports Server (NTRS)

Li, Jianzhong; Ning, C. Z.; Biegel, Bryan A. (Technical Monitor)

2001-01-01

We present numerical results of the diffusion coefficients (DCs) in the coupled diffusion model derived in the preceding paper for a semiconductor quantum well. These include self and mutual DCs in the general two-component case, as well as density- and temperature-related DCs under the single-component approximation. The results are analyzed from the viewpoint of free Fermi gas theory with many-body effects incorporated. We discuss in detail the dependence of these DCs on densities and temperatures in order to identify different roles played by the free carrier contributions including carrier statistics and carrier-LO phonon scattering, and many-body corrections including bandgap renormalization and electron-hole (e-h) scattering. In the general two-component case, it is found that the self- and mutual- diffusion coefficients are determined mainly by the free carrier contributions, but with significant many-body corrections near the critical density. Carrier-LO phonon scattering is dominant at low density, but e-h scattering becomes important in determining their density dependence above the critical electron density. In the single-component case, it is found that many-body effects suppress the density coefficients but enhance the temperature coefficients. The modification is of the order of 10% and reaches a maximum of over 20% for the density coefficients. Overall, temperature elevation enhances the diffusive capability or DCs of carriers linearly, and such an enhancement grows with density. Finally, the complete dataset of various DCs as functions of carrier densities and temperatures provides necessary ingredients for future applications of the model to various spatially inhomogeneous optoelectronic devices.

Profiling of Current Transients in Capacitor Type Diamond Sensors

PubMed Central

Gaubas, Eugenijus; Ceponis, Tomas; Meskauskaite, Dovile; Kazuchits, Nikolai

2015-01-01

The operational characteristics of capacitor-type detectors based on HPHT and CVD diamond have been investigated using perpendicular and parallel injection of carrier domain regimes. Simulations of the drift-diffusion current transients have been implemented by using dynamic models based on Shockley-Ramo’s theorem, under injection of localized surface domains and of bulk charge carriers. The bipolar drift-diffusion regimes have been analyzed for the photo-induced bulk domain (packet) of excess carriers. The surface charge formation and polarization effects dependent on detector biasing voltage have been revealed. The screening effects ascribed to surface charge and to dynamics of extraction of the injected bulk excess carrier domain have been separated and explained. The parameters of drift mobility of the electrons μe = 4000 cm2/Vs and holes μh = 3800 cm2/Vs have been evaluated for CVD diamond using the perpendicular profiling of currents. The coefficient of carrier ambipolar diffusion Da = 97 cm2/s and the carrier recombination lifetime τR,CVD ≌ 110 ns in CVD diamond were extracted by combining analysis of the transients of the sensor current and the microwave probed photoconductivity. The carrier trapping with inherent lifetime τR,HPHT ≌ 2 ns prevails in HPHT diamond. PMID:26061200

Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy

DOE PAGES

Olsen, Raina J.; Jin, Ke; Lu, Chenyang; ...

2015-11-23

The nature of defect clusters in Ni and Nimore » $$_{50}$$Co$$_{50}$$ (NiCo) irradiated at room temperature with 2–16 MeV Ni ions is studied using asymptotic diffuse X-ray scattering and transmission electron microscopy (TEM). Analysis of the scattering data provides separate size distributions for vacancy and interstitial type defect clusters, showing that both types of defect clusters have a smaller size and higher density in NiCo than in Ni. Diffuse scattering results show good quantitative agreement with TEM results for cluster sizes greater than 4 nm diameter, but find that the majority of vacancy clusters are under 2 nm in NiCo, which, if not detected, would lead to the conclusion that defect density was actually lower in the alloy. Interstitial dislocation loops and stacking fault tetrahedra are identified by TEM. Lastly comparison of diffuse scattering lineshapes to those calculated for dislocation loops and SFTs indicates that most of the vacancy clusters are SFTs.« less

Ambient-temperature diffusion and gettering of Pt atoms in GaN with surface defect region under 60Co gamma or MeV electron irradiation

NASA Astrophysics Data System (ADS)

Hou, Ruixiang; Li, Lei; Fang, Xin; Xie, Ziang; Li, Shuti; Song, Weidong; Huang, Rong; Zhang, Jicai; Huang, Zengli; Li, Qiangjie; Xu, Wanjing; Fu, Engang; Qin, G. G.

2018-01-01

Generally, the diffusion and gettering of impurities in GaN needs high temperature. Calculated with the ambient-temperature extrapolation value of the high temperature diffusivity of Pt atoms in GaN reported in literature, the time required for Pt atoms diffusing 1 nm in GaN at ambient temperature is about 19 years. Therefore, the ambient-temperature diffusion and gettering of Pt atoms in GaN can hardly be observed. In this work, the ambient-temperature diffusion and gettering of Pt atoms in GaN is reported for the first time. It is demonstrated by use of secondary ion mass spectroscopy that in the condition of introducing a defect region on the GaN film surface by plasma, and subsequently, irradiated by 60Co gamma-ray or 3 MeV electrons, the ambient-temperature diffusion and gettering of Pt atoms in GaN can be detected. It is more obvious with larger irradiation dose and higher plasma power. With a similar surface defect region, the ambient-temperature diffusion and gettering of Pt atoms in GaN stimulated by 3 MeV electron irradiation is more marked than that stimulated by gamma irradiation. The physical mechanism of ambient-temperature diffusion and gettering of Pt atoms in a GaN film with a surface defect region stimulated by gamma or MeV electron irradiation is discussed.

76 FR 29169 - Requirements for Intermodal Equipment Providers and for Motor Carriers and Drivers Operating...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-20

... No. FMCSA-2005-23315] RIN 2126-AB37 Requirements for Intermodal Equipment Providers and for Motor Carriers and Drivers Operating Intermodal Equipment AGENCY: Federal Motor Carrier Safety Administration... driver- vehicle inspection report (DVIR) on an item of intermodal equipment (IME) when no damage, defects...

Rayleigh matches in carriers of inherited color vision defects: the contribution from the third L/M photopigment.

PubMed

Sun, Yang; Shevell, Steven K

2008-01-01

The mother or daughter of a male with an X-chromosome-linked red/green color defect is an obligate carrier of the color deficient gene array. According to the Lyonization hypothesis, a female carrier's defective gene is expressed and thus carriers may have more than two types of pigments in the L/M photopigment range. An open question is how a carrier's third cone pigment in the L/M range affects the postreceptoral neural signals encoding color. Here, a model considered how the signal from the third pigment pools with signals from the normal's two pigments in the L/M range. Three alternative assumptions were considered for the signal from the third cone pigment: it pools with the signal from (1) L cones, (2) M cones, or (3) both types of cones. Spectral-sensitivity peak, optical density, and the relative number of each cone type were factors in the model. The model showed that differences in Rayleigh matches among carriers can be due to individual differences in the number of the third type of L/M cone, and the spectral sensitivity peak and optical density of the third L/M pigment; surprisingly, however, individual differences in the cone ratio of the other two cone types (one L and the other M) did not affect the match. The predicted matches were compared to Schmidt's (1934/1955) report of carriers' Rayleigh matches. For carriers of either protanomaly or deuteranomaly, these matches were not consistent with the signal from the third L/M pigment combining with only the signal from M cones. The matches could be accounted for by pooling the third-pigment's response with L-cone signals, either exclusively or randomly with M-cone responses as well.

Measurement of N-Type 6H SiC Minority-Carrier Diffusion Lengths by Electron Bombardment of Schottky Barriers

NASA Technical Reports Server (NTRS)

Hubbard, S. M.; Tabib-Azar, M.; Balley, S.; Rybickid, G.; Neudeck, P.; Raffaelle, R.

2004-01-01

Minority-Carrier diffusion lengths of n-type 6H-SiC were measured using the electron-beam induced current (EBIC) technique. Experimental values of primary beam current, EBIC, and beam voltage were obtained for a variety of SIC samples. This data was used to calculate experimental diode efficiency vs. beam voltage curves. These curves were fit to theoretically calculated efficiency curves, and the diffusion length and metal layer thickness were extracted. The hole diffusion length in n-6H SiC ranged from 0.93 +/- 0.15 microns.

Measuring charge carrier diffusion in coupled colloidal quantum dot solids.

PubMed

Zhitomirsky, David; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H

2013-06-25

Colloidal quantum dots (CQDs) are attractive materials for inexpensive, room-temperature-, and solution-processed optoelectronic devices. A high carrier diffusion length is desirable for many CQD device applications. In this work we develop two new experimental methods to investigate charge carrier diffusion in coupled CQD solids under charge-neutral, i.e., undepleted, conditions. The methods take advantage of the quantum-size-effect tunability of our materials, utilizing a smaller-bandgap population of quantum dots as a reporter system. We develop analytical models of diffusion in 1D and 3D structures that allow direct extraction of diffusion length from convenient parametric plots and purely optical measurements. We measure several CQD solids fabricated using a number of distinct methods and having significantly different doping and surface ligand treatments. We find that CQD materials recently reported to achieve a certified power conversion efficiency of 7% with hybrid organic-inorganic passivation have a diffusion length of 80 ± 10 nm. The model further allows us to extract the lifetime, trap density, mobility, and diffusion coefficient independently in each material system. This work will facilitate further progress in extending the diffusion length, ultimately leading to high-quality CQD solid semiconducting materials and improved CQD optoelectronic devices, including CQD solar cells.

Zinc interstitial threshold in Al-doped ZnO film: Effect on microstructure and optoelectronic properties

NASA Astrophysics Data System (ADS)

Singh, Chetan C.; Panda, Emila

2018-04-01

In order to know the threshold quantity of the zinc interstitials that contributes to an increase in carrier concentration in the Al-doped ZnO (AZO) films and their effect on the overall microstructure and optoelectronic properties of these films, in this work, Zn-rich-AZO and ZnO thin films are fabricated by adding excess zinc (from a zinc metallic target) during their deposition in RF magnetron sputtering and are then investigated using a wide range of experimental techniques. All these films are found to grow in a ZnO hexagonal wurtzite crystal structure with strong (002) orientation of the crystallites, with no indication of Al2O3, metallic Zn, and Al. The excessively introduced zinc in these AZO and/or ZnO films is found to increase the shallow donor level defects (i.e., zinc interstitials and oxygen-related electronic defect states), which is found to significantly increase the carrier concentration in these films. Additionally, aluminum is seen to enhance the creation of these electronic defect states in these films, thereby contributing more to the overall carrier concentration of these films. However, carrier mobility is found to decrease when the carrier concentration values are higher than 4 × 1020 cm-3, because of the electron-electron scattering. Whereas the optical band gap of the ZnO films is found to increase with increasing carrier concentration because of the Burstein-Moss shift, these decrease for the AZO films due to the band gap narrowing effect caused by excess carrier concentration.

Carrier quenching in InGaP/GaAs double heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wells, Nathan P., E-mail: nathan.p.wells@aero.org; Driskell, Travis U.; Hudson, Andrew I.

2015-08-14

Photoluminescence measurements on a series of GaAs double heterostructures demonstrate a rapid quenching of carriers in the GaAs layer at irradiance levels below 0.1 W/cm{sup 2} in samples with a GaAs-on-InGaP interface. These results indicate the existence of non-radiative defect centers at or near the GaAs-on-InGaP interface, consistent with previous reports showing the intermixing of In and P when free As impinges on the InGaP surface during growth. At low irradiance, these defect centers can lead to sub-ns carrier lifetimes. The defect centers involved in the rapid carrier quenching can be saturated at higher irradiance levels and allow carrier lifetimes tomore » reach hundreds of nanoseconds. To our knowledge, this is the first report of a nearly three orders of magnitude decrease in carrier lifetime at low irradiance in a simple double heterostructure. Carrier quenching occurs at irradiance levels near the integrated Air Mass Zero (AM0) and Air Mass 1.5 (AM1.5) solar irradiance. Additionally, a lower energy photoluminescence band is observed both at room and cryogenic temperatures. The temperature and time dependence of the lower energy luminescence is consistent with the presence of an unintentional InGaAs or InGaAsP quantum well that forms due to compositional mixing at the GaAs-on-InGaP interface. Our results are of general interest to the photovoltaic community as InGaP is commonly used as a window layer in GaAs based solar cells.« less

Evidence of a Shockley-Read-Hall Defect State Independent of Band-Edge Energy in InAs / In ( As , Sb ) Type-II Superlattices

DOE PAGES

Aytac, Y.; Olson, B. V.; Kim, J. K.; ...

2016-06-01

A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entiremore » set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.« less

Evidence of a Shockley-Read-Hall Defect State Independent of Band-Edge Energy in InAs / In ( As , Sb ) Type-II Superlattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aytac, Y.; Olson, B. V.; Kim, J. K.

A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entiremore » set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.« less

Temperature-Dependent Photoluminescence Imaging and Characterization of a Multi-Crystalline Silicon Solar Cell Defect Area

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnston, S.; Yan, F.; Li, J.

2011-01-01

Photoluminescence (PL) imaging is used to detect areas in multi-crystalline silicon that appear dark in band-to-band imaging due to high recombination. Steady-state PL intensity can be correlated to effective minority-carrier lifetime, and its temperature dependence can provide additional lifetime-limiting defect information. An area of high defect density has been laser cut from a multi-crystalline silicon solar cell. Both band-to-band and defect-band PL imaging have been collected as a function of temperature from {approx}85 to 350 K. Band-to-band luminescence is collected by an InGaAs camera using a 1200-nm short-pass filter, while defect band luminescence is collected using a 1350-nm long passmore » filter. The defect band luminescence is characterized by cathodoluminescence. Small pieces from adjacent areas within the same wafer are measured by deep-level transient spectroscopy (DLTS). DLTS detects a minority-carrier electron trap level with an activation energy of 0.45 eV on the sample that contained defects as seen by imaging.« less

Temperature-Dependent Photoluminescence Imaging and Characterization of a Multi-Crystalline Silicon Solar Cell Defect Area: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnston, S.; Yan, F.; Li, J.

2011-07-01

Photoluminescence (PL) imaging is used to detect areas in multi-crystalline silicon that appear dark in band-to-band imaging due to high recombination. Steady-state PL intensity can be correlated to effective minority-carrier lifetime, and its temperature dependence can provide additional lifetime-limiting defect information. An area of high defect density has been laser cut from a multi-crystalline silicon solar cell. Both band-to-band and defect-band PL imaging have been collected as a function of temperature from ~85 to 350 K. Band-to-band luminescence is collected by an InGaAs camera using a 1200-nm short-pass filter, while defect band luminescence is collected using a 1350-nm long passmore » filter. The defect band luminescence is characterized by cathodo-luminescence. Small pieces from adjacent areas within the same wafer are measured by deep-level transient spectroscopy (DLTS). DLTS detects a minority-carrier electron trap level with an activation energy of 0.45 eV on the sample that contained defects as seen by imaging.« less

Analysis of Radiation Effects in Silicon using Kinetic Monte Carlo Methods

DOE PAGES

Hehr, Brian Douglas

2014-11-25

The transient degradation of semiconductor device performance under irradiation has long been an issue of concern. Neutron irradiation can instigate the formation of quasi-stable defect structures, thereby introducing new energy levels into the bandgap that alter carrier lifetimes and give rise to such phenomena as gain degradation in bipolar junction transistors. Normally, the initial defect formation phase is followed by a recovery phase in which defect-defect or defect-dopant interactions modify the characteristics of the damaged structure. A kinetic Monte Carlo (KMC) code has been developed to model both thermal and carrier injection annealing of initial defect structures in semiconductor materials.more » The code is employed to investigate annealing in electron-irradiated, p-type silicon as well as the recovery of base current in silicon transistors bombarded with neutrons at the Los Alamos Neutron Science Center (LANSCE) “Blue Room” facility. Our results reveal that KMC calculations agree well with these experiments once adjustments are made, within the appropriate uncertainty bounds, to some of the sensitive defect parameters.« less

Grazing-incidence X-ray diffraction from a crystal with subsurface defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaevskii, A. Yu., E-mail: transilv@mail.ru; Golentus, I. E.

2015-03-15

The diffraction of X rays incident on a crystal surface under grazing angles under conditions of total external reflection has been investigated. An approach is proposed in which exact solutions to the dynamic problem of grazing-incidence diffraction in an ideal crystal are used as initial functions to calculate the diffuse component of diffraction in a crystal with defects. The diffuse component of diffraction is calculated for a crystal with surface defects of a dilatation-center type. Exact formulas of the continuum theory which take into account the mirror-image forces are used for defect-induced atomic displacements. Scattering intensity maps near Bragg peaksmore » are constructed for different scan modes, and the conditions for detecting primarily the diffuse component are determined. The results of dynamic calculations of grazing-incidence diffraction in defect-containing crystals are compared with calculations in the kinematic approximation.« less

Fast diffusion of native defects and impurities in perovskite solar cell material CH 3NH 3PbI 3

DOE PAGES

Yang, Dongwen; Ming, Wenmei; Shi, Hongliang; ...

2016-06-01

CH 3NH 3PbI 3-based solar cells have shown remarkable progress in recent years but have also suffered from structural, electrical, and chemical instabilities related to the soft lattices and the chemistry of these halides. One of the instabilities is ion migration, which may cause current–voltage hysteresis in CH 3NH 3PbI 3 solar cells. Significant ion diffusion and ionic conductivity in CH 3NH 3PbI 3 have been reported; their nature, however, remain controversial. In the literature, the use of different experimental techniques leads to the observation of different diffusing ions (either iodine or CH 3NH 3 ion); the calculated diffusion barriersmore » for native defects scatter in a wide range; the calculated defect formation energies also differ qualitatively. These controversies hinder the understanding and the control of the ion migration in CH 3NH 3PbI 3. In this paper, we show density functional theory calculations of both the diffusion barriers and the formation energies for native defects (V I +, MA i +, V MA –, and I i –) and the Au impurity in CH 3NH 3PbI 3. V I + is found to be the dominant diffusing defect due to its low formation energy and the low diffusion barrier. I i – and MA i + also have low diffusion barriers but their formation energies are relatively high. The hopping rate of V I + is further calculated taking into account the contribution of the vibrational entropy, confirming V I + as a fast diffuser. We discuss approaches for managing defect population and migration and suggest that chemically modifying surfaces, interfaces, and grain boundaries may be effective in controlling the population of the iodine vacancy and the device polarization. We further show that the formation energy and the diffusion barrier of Au interstitial in CH 3NH 3PbI 3 are both low. As a result, it is thus possible that Au can diffuse into CH3NH3PbI3 under bias in devices (e.g., solar cell, photodetector) with Au/CH 3NH 3PbI 3 interfaces and modify the electronic properties of CH 3NH 3PbI 3.« less

Fast diffusion of native defects and impurities in perovskite solar cell material CH 3NH 3PbI 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Dongwen; Ming, Wenmei; Shi, Hongliang

CH 3NH 3PbI 3-based solar cells have shown remarkable progress in recent years but have also suffered from structural, electrical, and chemical instabilities related to the soft lattices and the chemistry of these halides. One of the instabilities is ion migration, which may cause current–voltage hysteresis in CH 3NH 3PbI 3 solar cells. Significant ion diffusion and ionic conductivity in CH 3NH 3PbI 3 have been reported; their nature, however, remain controversial. In the literature, the use of different experimental techniques leads to the observation of different diffusing ions (either iodine or CH 3NH 3 ion); the calculated diffusion barriersmore » for native defects scatter in a wide range; the calculated defect formation energies also differ qualitatively. These controversies hinder the understanding and the control of the ion migration in CH 3NH 3PbI 3. In this paper, we show density functional theory calculations of both the diffusion barriers and the formation energies for native defects (V I +, MA i +, V MA –, and I i –) and the Au impurity in CH 3NH 3PbI 3. V I + is found to be the dominant diffusing defect due to its low formation energy and the low diffusion barrier. I i – and MA i + also have low diffusion barriers but their formation energies are relatively high. The hopping rate of V I + is further calculated taking into account the contribution of the vibrational entropy, confirming V I + as a fast diffuser. We discuss approaches for managing defect population and migration and suggest that chemically modifying surfaces, interfaces, and grain boundaries may be effective in controlling the population of the iodine vacancy and the device polarization. We further show that the formation energy and the diffusion barrier of Au interstitial in CH 3NH 3PbI 3 are both low. As a result, it is thus possible that Au can diffuse into CH3NH3PbI3 under bias in devices (e.g., solar cell, photodetector) with Au/CH 3NH 3PbI 3 interfaces and modify the electronic properties of CH 3NH 3PbI 3.« less

Evolution of Radiation Induced Defects in SiC: A Multiscale Simulation Approach

NASA Astrophysics Data System (ADS)

Jiang, Hao

Because of various excellent properties, SiC has been proposed for many applications in nuclear reactors including cladding layers in fuel rod, fission products container in TRISO fuel, and first wall/blanket in magnetic controlled fusion reactors. Upon exposure to high energy radiation environments, point defects and defect clusters are generated in materials in amounts significantly exceeding their equilibrium concentrations. The accumulation of defects can lead to undesired consequences such as crystalline-to-amorphous transformation1, swelling, and embrittlement, and these phenomena can adversely affect the lifetime of SiC based components in nuclear reactors. It is of great importance to understand the accumulation process of these defects in order to estimate change in properties of this material and to design components with superior ability to withstand radiation damages. Defect clusters are widely in SiC irradiated at the operation temperatures of various reactors. These clusters are believed to cause more than half of the overall swelling of irradiated SiC and can potentially lead to lowered thermal conductivity and mechanical strength. It is critical to understand the formation and growth of these clusters. Diffusion of these clusters is one importance piece to determine the growth rate of clusters; however it is unclear so far due to the challenges in simulating rare events. Using a combination of kinetic Activation Relaxation Technique with empirical potential and ab initio based climbing image nudged elastic band method, I performed an extensive search of the migration paths of the most stable carbon tri-interstitial cluster in SiC. This research reveals paths with the lowest energy barriers to migration, rotation, and dissociation of the most stable cluster. Based on these energy barriers, I concluded defect clusters are thermally immobile at temperatures lower than 1500 K and can dissociate into smaller clusters and single interstitials at temperatures beyond that. Even though clusters cannot diffuse by thermal vibrations, we found they can migrate at room temperature under the influence of electron radiation. This is the first direct observation of radiation-induced diffusion of defect clusters in bulk materials. We show that the underlying mechanism of this athermal diffusion is elastic collision between incoming electrons and cluster atoms. Our findings suggest that defect clusters may be mobile under certain irradiation conditions, changing current understanding of cluster annealing process in irradiated SiC. With the knowledge of cluster diffusion in SiC demonstrated in this thesis, we now become able to predict cluster evolution in SiC with good agreement with experimental measurements. This ability can enable us to estimate changes in many properties of irradiated SiC relevant for its applications in reactors. Internal interfaces such as grain boundaries can behave as sinks to radiation induced defects. The ability of GBs to absorb, transport, and annihilate radiation-induced defects (sink strength) is important to understand radiation response of polycrystalline materials and to better design interfaces for improved resistance to radiation damage. Nowadays, it is established GBs' sink strength is not a static property but rather evolves with many factors, including radiation environments, grain size, and GB microstructure. In this thesis, I investigated the response of small-angle tilt and twist GBs to point defects fluxes in SiC. First of all, I found the pipe diffusion of interstitials in tilt GBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, I show that both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled and can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of tilt GBs in annihilating radiation damage. The model predicts the role of tilt GBs in annihilating defects depends on the rate of defects segregation to and diffusion along tilt GBs. Tilt GBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. When defect diffusivity is low, most of the defects segregated to tilt GBs are annihilated by dislocation climb. Up-to-date, the response of twist GBs under irradiation has been rarely reported in literature and is still unclear. It is important to develop atom scale insight on this question in order to predict twist GBs' sink strength for a better understanding of radiation response of polycrystalline materials. By using a combination of molecular dynamics and grand canonical Monte Carlo, here I demonstrate the defect kinetics in {001} and {111} twist GBs and the microstructural evolution of these GBs under defect fluxes in SiC. I found due to the deep potential well for interstitials at dislocation intersections within the interface, the mobility of defects on dislocation grid is retard and this leads to defect accumulation at GBs for many cases. Furthermore, I conclude both types of twist GBs have to form mixed dislocations with edge component in order to absorb accumulated interstitials at the interface. The formation of mixed dislocation is either by interstitial loop nucleation or by dislocation reactions at the interface. The continuous formation and climb of these mixed dislocations make twist GBs unsaturatable sinks to radiation induced defects.

Effect of noise on defect chaos in a reaction-diffusion model.

PubMed

Wang, Hongli; Ouyang, Qi

2005-06-01

The influence of noise on defect chaos due to breakup of spiral waves through Doppler and Eckhaus instabilities is investigated numerically with a modified Fitzhugh-Nagumo model. By numerical simulations we show that the noise can drastically enhance the creation and annihilation rates of topological defects. The noise-free probability distribution function for defects in this model is found not to fit with the previously reported squared-Poisson distribution. Under the influence of noise, the distributions are flattened, and can fit with the squared-Poisson or the modified-Poisson distribution. The defect lifetime and diffusive property of defects under the influence of noise are also checked in this model.

Self-diffusion in 69Ga121Sb/71Ga123Sb isotope heterostructures

NASA Astrophysics Data System (ADS)

Bracht, H.; Nicols, S. P.; Haller, E. E.; Silveira, J. P.; Briones, F.

2001-05-01

Gallium and antimony self-diffusion experiments have been performed in undoped 69Ga121Sb/71Ga123Sb isotope heterostructures at temperatures between 571 and 708 °C under Sb- and Ga-rich ambients. Ga and Sb profiles measured with secondary ion mass spectrometry reveal that Ga diffuses faster than Sb by several orders of magnitude. This strongly suggests that the two self-atom species diffuse independently on their own sublattices. Experimental results lead us to conclude that Ga and Sb diffusion are mediated by Ga vacancies and Sb interstitials, respectively, and not by the formation of a triple defect proposed earlier by Weiler and Mehrer [Philos. Mag. A 49, 309 (1984)]. The extremely slow diffusion of Sb up to the melting temperature of GaSb is proposed to be a consequence of amphoteric transformations between native point defects which suppress the formation of those native defects which control Sb diffusion. Preliminary experiments exploring the effect of Zn indiffusion at 550 °C on Ga and Sb diffusion reveal an enhanced intermixing of the Ga isotope layers compared to undoped GaSb. However, under the same conditions the diffusion of Sb was not significantly affected.

Hole diffusivity in GaAsBi alloys measured by a picosecond transient grating technique

NASA Astrophysics Data System (ADS)

Nargelas, S.; Jarašiunas, K.; Bertulis, K.; Pačebutas, V.

2011-02-01

We applied a time-resolved transient grating technique for investigation of nonequilibrium carrier dynamics in GaAs1-xBix alloys with x =0.025-0.063. The observed decrease in carrier bipolar diffusivity with lowering temperature and its saturation below 80 K revealed a strong localization of nonequilibrium holes. Thermal activation energy ΔEa=46 meV of diffusivity and low hole mobility value μh=10-20 cm2/V s at room temperature confirmed the hybridization model of the localized Bi states with the valence band of GaAs. Nonlinear increase in carrier recombination rate with the Bi content, 1/τR∝Bi(x )3.2 indicated an increasing structural disorder in the alloy.

Radiation effects studies for the high-resolution spectrograph

NASA Technical Reports Server (NTRS)

Smith, L. C.; Becher, J.

1982-01-01

The generation and collection of charge carriers created during the passage of energetic protons through a silicon photodiode array are modeled. Pulse height distributions of noise charge collected during exposure of a digicon type diode array to 21 and 75 MeV protons were obtained. The magnitude of charge collected by a diode from each proton event is determined not only by diffusion, but by statistical considerations involving the ionization process itself. Utilizing analytical solutions to the diffusion equation for transport of minority carriers, together with the Vavilov theory of energy loss fluctuations in thin absorbers, simulations of the pulse height spectra which follow the experimental distributions fairly well are presented and an estimate for the minority carrier diffusion length L sub d is provided.

Self-regulation of charged defect compensation and formation energy pinning in semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang

2015-11-20

Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglementmore » of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH 3NH 3PbI 3 as examples, we illustrate these unexpected behaviors. Furthermore, our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators.« less

Ti diffusion in ion prebombarded MgO(100). I. A model for quantitative analysis

NASA Astrophysics Data System (ADS)

Lu, M.; Lupu, C.; Styve, V. J.; Lee, S. M.; Rabalais, J. W.

2002-01-01

Enhancement of Ti diffusion in MgO(100) prebombarded with 7 keV Ar+ has been observed. Diffusion was induced by annealing to 1000 °C following the prebombardment and Ti evaporation. Such a sample geometry and experimental procedure alleviates the continuous provision of freely mobile defects introduced by ion irradiation during annealing for diffusion, making diffusion proceed in a non-steady-state condition. Diffusion penetration profiles were obtained by using secondary ion mass spectrometry depth profiling techniques. A model that includes a depth-dependent diffusion coefficient was proposed, which successfully explains the observed non-steady-state radiation enhanced diffusion. The diffusion coefficients are of the order of 10-20 m2/s and are enhanced due to the defect structure inflected by the Ar+ prebombardment.

High and Low Energy Proton Radiation Damage in p/n InP MOCVD Solar Cells

NASA Technical Reports Server (NTRS)

Rybicki, George; Weinberg, Irv; Scheiman, Dave; Vargas-Aburto, Carlos; Uribe, Roberto

1995-01-01

InP p(+)/n/n(+) solar cells, fabricated by metal organic chemical vapor deposition, (MOCVD) were irradiated with 0.2 MeV and 10 MeV protons to a fluence of 10(exp 13)/sq cm. The power output degradation, IV behavior, carrier concentration and defect concentration were observed at intermediate points throughout the irradiations. The 0.2 MeV proton-irradiated solar cells suffered much greater and more rapid degradation in power output than those irradiated with 10 MeV protons. The efficiency losses were accompanied by larger increases in the recombination currents in the 0.2 MeV proton-irradiated solar cells. The low energy proton irradiations also had a larger impact on the series resistance of the solar cells. Despite the radiation induced damage, the carrier concentration in the base of the solar cells showed no reduction after 10 MeV or 0.2 MeV proton irradiations and even increased during irradiation with 0.2 MeV protons. In a deep level transient spectroscopy (DLTS) study of the irradiated samples, the minority carrier defects H4 and H5 at E(sub v) + 0.33 and E(sub v) + 0.52 eV and the majority carrier defects E7 and El0 at E(sub c) - 0.39 and E(sub c) - 0.74 eV, were observed. The defect introduction rates for the 0.2 MeV proton irradiations were about 20 times higher than for the 10 MeV proton irradiations. The defect El0, observed here after irradiation, has been shown to act as a donor in irradiated n-type InP and may be responsible for obscuring carrier removal. The results of this study are consistent with the much greater damage produced by low energy protons whose limited range causes them to stop in the active region of the solar cell.

Thermodynamic assessment of oxygen diffusion in non-stoichiometric UO2±x from experimental data and Frenkel pair modeling

NASA Astrophysics Data System (ADS)

Berthinier, C.; Rado, C.; Chatillon, C.; Hodaj, F.

2013-02-01

The self and chemical diffusion of oxygen in the non-stoichiometric domain of the UO2 compound is analyzed from the point of view of experimental determinations and modeling from Frenkel pair defects. The correlation between the self-diffusion and the chemical diffusion coefficients is analyzed using the Darken coefficient calculated from a thermodynamic description of the UO2±x phase. This description was obtained from an optimization of thermodynamic and phase diagram data and modeling with different point defects, including the Frenkel pair point defects. The proposed diffusion coefficients correspond to the 300-2300 K temperature range and to the full composition range of the non stoichiometric UO2 compound. These values will be used for the simulation of the oxidation and ignition of the uranium carbide in different oxygen atmospheres that starts at temperatures as low as 400 K.

* Composite Biomaterial as a Carrier for Bone-Active Substances for Metaphyseal Tibial Bone Defect Reconstruction in Rats.

PubMed

Horstmann, Peter Frederik; Raina, Deepak Bushan; Isaksson, Hanna; Hettwer, Werner; Lidgren, Lars; Petersen, Michael Mørk; Tägil, Magnus

2017-12-01

Restoring lost bone is a major challenge in orthopedic surgery. Currently available treatment strategies have shortcomings, such as risk of infection, nonunion, and excessive resorption. Our primary aim was to study if a commercially available gentamicin-containing composite calcium sulfate/hydroxyapatite biomaterial (GBM) could serve as a carrier for local delivery of bone morphogenic protein-2 (BMP-2) and zoledronic acid (ZA) in a tibia defect model in rats. Empty and allograft-filled defects were used as controls. A 3 × 4-mm metaphyseal bone defect was created in the proximal tibia, and the rats were grouped according to defect filling: (1) Empty, (2) Allograft, (3) GBM, (4) GBM + ZA, and (5) GBM + ZA + BMP-2. In vivo microcomputed tomography (micro-CT) images at 4 weeks showed significantly higher mineralized tissue volume (MV) in the intramedullary defect region and the neocortical/callus region in all GBM-treated groups. After euthanization at 8 weeks, ex vivo micro-CT showed that addition of ZA (GBM + ZA) and BMP-2 (GBM + ZA + BMP-2) mainly increased the neocortical and callus formation, with the highest MV in the combined ZA and BMP-2-treated group. Qualitative histological analysis, verifying the increased neocortical/callus thickness and finding of trabecular bone in all GBM-treated groups, supported that the differences in MV measured with micro-CT in fact represented bone tissue. In conclusion, GBM can serve as a carrier for ZA and BMP-2 leading to increased MV in the neocortex and callus of a metaphyseal bone defect in rats.

Antimony diffusion in CdTe

DOE PAGES

Colegrove, Eric; Harvey, Steven P.; Yang, Ji -Hui; ...

2017-02-08

Group V dopants may be used for next-generation high-voltage cadmium telluride (CdTe) solar photovoltaics, but fundamental defect energetics and kinetics need to be understood. Here, antimony (Sb) diffusion is studied in single-crystal and polycrystalline CdTe under Cd-rich conditions. Diffusion profiles are determined by dynamic secondary ion mass spectroscopy and analyzed with analytical bulk and grain-boundary diffusion models. Slow bulk and fast grain-boundary diffusion are found. Density functional theory is used to understand formation energy and mechanisms. Lastly, the theory and experimental results create new understanding of group V defect kinetics in CdTe.

The effect of Mg-doping and Cu nonstoichiometry on the photoelectrochemical response of CuFeO 2

DOE PAGES

Wuttig, Anna; Krizan, Jason W.; Gu, Jing; ...

2016-11-14

Here, we report the tuning of CuFeO 2 photoelectrodes by Mg doping and Cu deficiency to demonstrate the effects of carrier concentration on the photoresponse. Carrier type and concentration were quantitatively assessed using the Hall effect on pure, Mg-incorporated, and Cu-deficient pellets (CuFe 1–xMg xO 2 and Cu 1–yFeO 2, x = 0, 0.0005, 0.005, 0.02, and y = 0.005, 0.02) over the range of thermodynamic stability achievable using solid-state synthesis. The same samples were used in a photoelectrochemical cell to measure their photoresponse. We find that the material with the lowest p-type carrier concentration and the highest carrier mobilitymore » shows the largest photoresponse. Furthermore, we show that increasing the p-type carrier concentration and thus the conductivity to high levels is limited by the delafossite defect chemistry, which changes the majority carrier type from p-type to n-type near the Mg solubility limit (x = 0.05) and at high Cu defect concentrations.« less

Identification and Carrier Dynamics of the Dominant Lifetime Limiting Defect in n(-) 4H-SiC Epitaxial Layers

DTIC Science & Technology

2009-01-01

defects, measured by DLTS, and vacancies, detected by positron annihilation studies, as a function of thermal annealing temperature. The similarity in... applications and materials science a st a tu s so li d i www.pss-a.comp h y si ca Feature Article Identification and carrier dynamics of the dominant...stability and chemical inertness – make them ideal for applications that demand high power and/or high fre- quency operation that is well beyond the

Nanofibrous hollow microspheres self-assembled from star-shaped polymers as injectable cell carriers for knee repair.

PubMed

Liu, Xiaohua; Jin, Xiaobing; Ma, Peter X

2011-05-01

To repair complexly shaped tissue defects, an injectable cell carrier is desirable to achieve an accurate fit and to minimize surgical intervention. However, the injectable carriers available at present have limitations, and are not used clinically for cartilage regeneration. Here, we report nanofibrous hollow microspheres self-assembled from star-shaped biodegradable polymers as an injectable cell carrier. The nanofibrous hollow microspheres, integrating the extracellular-matrix-mimicking architecture with a highly porous injectable form, were shown to efficiently accommodate cells and enhance cartilage regeneration, compared with control microspheres. The nanofibrous hollow microspheres also supported a significantly larger amount of, and higher-quality, cartilage regeneration than the chondrocytes-alone group in an ectopic implantation model. In a critical-size rabbit osteochondral defect-repair model, the nanofibrous hollow microspheres/chondrocytes group achieved substantially better cartilage repair than the chondrocytes-alone group that simulates the clinically available autologous chondrocyte implantation procedure. These results indicate that the nanofibrous hollow microspheres are an excellent injectable cell carrier for cartilage regeneration.

Comprehensive Genome Profiling of Single Sperm Cells by Multiple Annealing and Looping-Based Amplification Cycles and Next-Generation Sequencing from Carriers of Robertsonian Translocation.

PubMed

Sha, Yanwei; Sha, Yankun; Ji, Zhiyong; Ding, Lu; Zhang, Qing; Ouyang, Honggen; Lin, Shaobin; Wang, Xu; Shao, Lin; Shi, Chong; Li, Ping; Song, Yueqiang

2017-03-01

Robertsonian translocation (RT) is a common cause for male infertility, recurrent pregnancy loss, and birth defects. Studying meiotic recombination in RT-carrier patients helps decipher the mechanism and improve the clinical management of infertility and birth defects caused by RT. Here we present a new method to study spermatogenesis on a single-gamete basis from two RT carriers. By using a combined single-cell whole-genome amplification and sequencing protocol, we comprehensively profiled the chromosomal copy number of 88 single sperms from two RT-carrier patients. With the profiled information, chromosomal aberrations were identified on a whole-genome, per-sperm basis. We found that the previously reported interchromosomal effect might not exist with RT carriers. It is suggested that single-cell genome sequencing enables comprehensive chromosomal aneuploidy screening and provides a powerful tool for studying gamete generation from patients carrying chromosomal diseases. © 2017 John Wiley & Sons Ltd/University College London.

Characterization and modeling of low energy ion-induced damage in III-V semiconductors

NASA Astrophysics Data System (ADS)

Chen, Ching-Hui

1997-11-01

Low energy ion-induced damage (sub-keV) created during dry etching processes can extend quite deeply into materials. A systematic study on the deep penetration of dry etch-induced damage is necessary to improve device performance and helpful in further understanding the nature of defect propagation in semiconductors. In this study, a phenomenological model of dry etching damage that includes both effects of ion channeling and defect diffusion has been developed. It underscores that in addition to ion channeling, enhanced defect diffusion also plays an important role in establishing the damage profile. Further, the enhanced diffusion of dry etch- induced damage was experimentally observed for the first time by investigating the influences of concurrent above- bandgap laser illumination and low energy Ar+ ion bombardment on the damage profiles of GaAs/AlGaAs and InP-GaAs/InP heterostructures. The results indicate that non-radiative recombination of electron and hole pairs at defect sites is responsible for the observed radiation enhanced diffusion. DLTS measurements are also employed to characterize the nature of the enhanced diffusion in n-GaAs and reveal that a major component of the ion- induced defects is associated with primary point defects. Using the better understanding of the damage propagation in dry etched materials, a thin layer of low temperature grown GaAs (~200A) was utilized to stop defect propagation during dry etching process. This approach has been successfully applied to reduce ion damage that would occur during the formation of a dry-etch gate recess of a high electron mobility transistor. Finally, some future experiments are proposed and conceptually described, which would further clarify some of the many outstanding issues in the understanding and mitigation of etch- induced damage.

TED of boron in the presence of EOR defects: the use of the theory of Ostwald ripening to calculate Si-interstitial supersaturation in the vicinity of extrinsic defects

NASA Astrophysics Data System (ADS)

Bonafos, C.; Alquier, D.; Martinez, A.; Mathiot, D.; Claverie, A.

1996-05-01

When end-of-range defects are located close to or within doping profiles they render diffusion "anomalous" by both enhancing the dopant diffusivity and trapping it, both phenomena decreasing with time. Upon annealing, these defects grow in size and their density is reduced through the emission and capture of Si-interstitial atoms by a coarsening process called Ostwald ripening. In this paper, we report on how, by coupling the Ostwald ripening theory with TEM observations of the time evolution of the dislocation loops upon annealing, quantitative information allowing the enhanced diffusivity to be understood can be extracted. Indeed, during the coarsening process, a supersaturation, {C}/{C e}, of Si self-interstitial atoms is maintained between the loops and decreases with time. The enhanced diffusivity is assumed to be linked to the evolution of this interstitial supersaturation during annealing through the interstitial component of boron diffusion. We show that C drastically decreases during the first second of the anneal to asymptotically reach a value just above the equilibrium concentration Ce. This rapid decay is precisely at the origin of the transient enhanced diffusivity of dopants in the vicinity of the loops.

Recombination activity of threading dislocations in GaInP influenced by growth temperature

NASA Astrophysics Data System (ADS)

Mukherjee, K.; Reilly, C. H.; Callahan, P. G.; Seward, G. G. E.

2018-04-01

Room-temperature non-radiative recombination is studied at single dislocations in Ga0.5In0.5P quantum wells grown on metamorphic templates using cathodoluminescence and electron channeling contrast imaging. An analysis of the light emission intensity profiles around single dislocations reveals that the average recombination strength of a dislocation decreases by a factor of four and seven as a result of decreasing growth temperature of the GaInP quantum well from 725 to 675 and 625 °C, respectively. This reduction occurs despite little change in the diffusion length, precluding the prospect of inducing carrier localization by ordering and phase separation in GaInP at lower growth temperatures. These observations are rationalized by the premise that point defects or impurities are largely responsible for the recombination activity of dislocations, and the extent of decoration of the dislocation core decreases with temperature. Preliminary evidence for the impact of the Burgers vector is also presented. The lowest growth temperature, however, negatively impacts light emission away from dislocations. Carrier recombination in the bulk and at dislocations needs to be considered together for metamorphic devices, and this work can lead to new techniques to limit non-radiative recombination.

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3NH 3PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ming, Wenmei; Yang, Dongwen; Li, Tianshu

Solar cells based on methylammonium lead triiodide (MAPbI 3) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long-term stability of MAPbI 3-based solar cells has yet to be achieved. Besides the well-known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3. In addition to Au, many other metals have been used as electrodes inmore » MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long-term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first-principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.« less

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH3NH3PbI3: Implications on Solar Cell Degradation and Choice of Electrode.

PubMed

Ming, Wenmei; Yang, Dongwen; Li, Tianshu; Zhang, Lijun; Du, Mao-Hua

2018-02-01

Solar cells based on methylammonium lead triiodide (MAPbI 3 ) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long-term stability of MAPbI 3 -based solar cells has yet to be achieved. Besides the well-known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current-voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3 . In addition to Au, many other metals have been used as electrodes in MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long-term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first-principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3NH 3PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode

DOE PAGES

Ming, Wenmei; Yang, Dongwen; Li, Tianshu; ...

2017-12-27

Solar cells based on methylammonium lead triiodide (MAPbI 3) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long-term stability of MAPbI 3-based solar cells has yet to be achieved. Besides the well-known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3. In addition to Au, many other metals have been used as electrodes inmore » MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long-term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first-principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.« less

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH3NH3PbI3: Implications on Solar Cell Degradation and Choice of Electrode

PubMed Central

Ming, Wenmei; Yang, Dongwen; Li, Tianshu

2017-01-01

Abstract Solar cells based on methylammonium lead triiodide (MAPbI3) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long‐term stability of MAPbI3‐based solar cells has yet to be achieved. Besides the well‐known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI3. In addition to Au, many other metals have been used as electrodes in MAPbI3 solar cells. However, how the external metal impurities introduced by electrodes affect the long‐term stability of MAPbI3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI3 based on first‐principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI3 while having low resistivities and suitable work functions for carrier extraction. PMID:29610728

Enhanced thermoelectric performance in Cu-intercalated BiTeI by compensation weakening induced mobility improvement

DOE PAGES

Wu, Lihua; Yang, Jiong; Chi, Miaofang; ...

2015-09-23

The low weighted carrier mobility has long been considered to be the key challenge for improvement of thermoelectric (TE) performance in BiTeI. The Rashba-effect-induced two-dimensional density of states in this bulk semiconductor is beneficial for thermopower enhancement, which makes it a prospective compound for TE applications. In this report, we show that intercalation of minor Cu-dopants can substantially alter the equilibria of defect reactions, selectively mediate the donor-acceptor compensation, and tune the defect concentration in the carrier conductive network. Consequently, the potential fluctuations responsible for electron scattering are reduced and the carrier mobility in BiTeI can be enhanced by amore » factor of two to three between 10 K and 300 K. The carrier concentration can also be optimized by tuning the Te/I composition ratio, leading to higher thermopower in this Rashba system. Cu-intercalation in BiTeI gives rise to higher power factor, slightly lower lattice thermal conductivity, and consequently improved figure of merit. Compared with pristine BiTe 0.98I 1.02, the TE performance in Cu 0.05BiTeI reveals a 150% and 20% enhancement at 300 and 520 K, respectively. Ultimately, these results demonstrate that defect equilibria mediated by selective doping in complex TE and energy materials could be an effective approach to carrier mobility and performance optimization.« less

Ultralow-power switching via defect engineering in germanium telluride phase-change memory devices.

PubMed

Nukala, Pavan; Lin, Chia-Chun; Composto, Russell; Agarwal, Ritesh

2016-01-25

Crystal-amorphous transformation achieved via the melt-quench pathway in phase-change memory involves fundamentally inefficient energy conversion events; and this translates to large switching current densities, responsible for chemical segregation and device degradation. Alternatively, introducing defects in the crystalline phase can engineer carrier localization effects enhancing carrier-lattice coupling; and this can efficiently extract work required to introduce bond distortions necessary for amorphization from input electrical energy. Here, by pre-inducing extended defects and thus carrier localization effects in crystalline GeTe via high-energy ion irradiation, we show tremendous improvement in amorphization current densities (0.13-0.6 MA cm(-2)) compared with the melt-quench strategy (∼50 MA cm(-2)). We show scaling behaviour and good reversibility on these devices, and explore several intermediate resistance states that are accessible during both amorphization and recrystallization pathways. Existence of multiple resistance states, along with ultralow-power switching and scaling capabilities, makes this approach promising in context of low-power memory and neuromorphic computation.

Impact of dopant concentrations on emitter formation with spin on dopant source in n-type crystalline silicon solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singha, Bandana; Solanki, Chetan Singh

Use of a suitable dopant source for emitter formation is an essential requirement in n-type crystalline silicon solar cells. Boron spin on dopant source, used as alternative to mostly used BBr{sub 3} liquid source, can yield an emitter with less diffusion induced defects under controlled conditions. Different concentrations of commercially available spin on dopant source is used and optimized in this work for sheet resistance values of the emitter ranging from 30 Ω/□ to 70 Ω/□ with emitter doping concentrations suitable for ohmic contacts. The dopant concentrations diluted with different ratios improves the carrier lifetime and thus improves the emittermore » performance. Hence use of suitable dopant source is essential in forming emitters in n-type crystalline silicon solar cells.« less

Excitons in Single-Walled Carbon Nanotubes and Their Dynamics

NASA Astrophysics Data System (ADS)

Amori, Amanda R.; Hou, Zhentao; Krauss, Todd D.

2018-04-01

Understanding exciton dynamics in single-walled carbon nanotubes (SWCNTs) is essential to unlocking the many potential applications of these materials. This review summarizes recent progress in understanding exciton photophysics and, in particular, exciton dynamics in SWCNTs. We outline the basic physical and electronic properties of SWCNTs, as well as bright and dark transitions within the framework of a strongly bound one-dimensional excitonic model. We discuss the many facets of ultrafast carrier dynamics in SWCNTs, including both single-exciton states (bright and dark) and multiple-exciton states. Photophysical properties that directly relate to excitons and their dynamics, including exciton diffusion lengths, chemical and structural defects, environmental effects, and photoluminescence photon statistics as observed through photon antibunching measurements, are also discussed. Finally, we identify a few key areas for advancing further research in the field of SWCNT excitons and photonics.

Gold-film coating assisted femtosecond laser fabrication of large-area, uniform periodic surface structures.

PubMed

Feng, Pin; Jiang, Lan; Li, Xin; Rong, Wenlong; Zhang, Kaihu; Cao, Qiang

2015-02-20

A simple, repeatable approach is proposed to fabricate large-area, uniform periodic surface structures by a femtosecond laser. 20 nm gold films are coated on semiconductor surfaces on which large-area, uniform structures are fabricated. In the case study of silicon, cross-links and broken structures of laser induced periodic surface structures (LIPSSs) are significantly reduced on Au-coated silicon. The good consistency between the scanning lines facilitates the formation of large-area, uniform LIPSSs. The diffusion of hot electrons in the Au films increases the interfacial carrier densities, which significantly enhances interfacial electron-phonon coupling. High and uniform electron density suppresses the influence of defects on the silicon and further makes the coupling field more uniform and thus reduces the impact of laser energy fluctuations, which homogenizes and stabilizes large-area LIPSSs.

Altered surfactant homeostasis and recurrent respiratory failure secondary to TTF-1 nuclear targeting defect.

PubMed

Peca, Donatella; Petrini, Stefania; Tzialla, Chryssoula; Boldrini, Renata; Morini, Francesco; Stronati, Mauro; Carnielli, Virgilio P; Cogo, Paola E; Danhaive, Olivier

2011-08-25

Mutations of genes affecting surfactant homeostasis, such as SFTPB, SFTPC and ABCA3, lead to diffuse lung disease in neonates and children. Haploinsufficiency of NKX2.1, the gene encoding the thyroid transcription factor-1 (TTF-1)--critical for lung, thyroid and central nervous system morphogenesis and function--causes a rare form of progressive respiratory failure designated brain-lung-thyroid syndrome. Molecular mechanisms involved in this syndrome are heterogeneous and poorly explored. We report a novel TTF-1 molecular defect causing recurrent respiratory failure episodes in an infant. The subject was an infant with severe neonatal respiratory distress syndrome followed by recurrent respiratory failure episodes, hypopituitarism and neurological abnormalities. Lung histology and ultrastructure were assessed by surgical biopsy. Surfactant-related genes were studied by direct genomic DNA sequencing and array chromatine genomic hybridization (aCGH). Surfactant protein expression in lung tissue was analyzed by confocal immunofluorescence microscopy. For kinetics studies, surfactant protein B and disaturated phosphatidylcholine (DSPC) were isolated from serial tracheal aspirates after intravenous administration of stable isotope-labeled (2)H(2)O and (13)C-leucine; fractional synthetic rate was derived from gas chromatography/mass spectrometry (2)H and (13)C enrichment curves. Six intubated infants with no primary lung disease were used as controls. Lung biopsy showed desquamative interstitial pneumonitis and lamellar body abnormalities suggestive of genetic surfactant deficiency. Genetic studies identified a heterozygous ABCA3 mutation, L941P, previously unreported. No SFTPB, SFTPC or NKX2.1 mutations or deletions were found. However, immunofluorescence studies showed TTF-1 prevalently expressed in type II cell cytoplasm instead of nucleus, indicating defective nuclear targeting. This pattern has not been reported in human and was not found in two healthy controls and in five ABCA3 mutation carriers. Kinetic studies demonstrated a marked reduction of SP-B synthesis (43.2 vs. 76.5 ± 24.8%/day); conversely, DSPC synthesis was higher (12.4 vs. 6.3 ± 0.5%/day) compared to controls, although there was a marked reduction of DSPC content in tracheal aspirates (29.8 vs. 56.1 ± 12.4% of total phospholipid content). Defective TTF-1 signaling may result in profound surfactant homeostasis disruption and neonatal/pediatric diffuse lung disease. Heterozygous ABCA3 missense mutations may act as disease modifiers in other genetic surfactant defects.

Altered surfactant homeostasis and recurrent respiratory failure secondary to TTF-1 nuclear targeting defect

PubMed Central

2011-01-01

Background Mutations of genes affecting surfactant homeostasis, such as SFTPB, SFTPC and ABCA3, lead to diffuse lung disease in neonates and children. Haploinsufficiency of NKX2.1, the gene encoding the thyroid transcription factor-1 (TTF-1) - critical for lung, thyroid and central nervous system morphogenesis and function - causes a rare form of progressive respiratory failure designated brain-lung-thyroid syndrome. Molecular mechanisms involved in this syndrome are heterogeneous and poorly explored. We report a novel TTF-1 molecular defect causing recurrent respiratory failure episodes in an infant. Methods The subject was an infant with severe neonatal respiratory distress syndrome followed by recurrent respiratory failure episodes, hypopituitarism and neurological abnormalities. Lung histology and ultrastructure were assessed by surgical biopsy. Surfactant-related genes were studied by direct genomic DNA sequencing and array chromatine genomic hybridization (aCGH). Surfactant protein expression in lung tissue was analyzed by confocal immunofluorescence microscopy. For kinetics studies, surfactant protein B and disaturated phosphatidylcholine (DSPC) were isolated from serial tracheal aspirates after intravenous administration of stable isotope-labeled 2H2O and 13C-leucine; fractional synthetic rate was derived from gas chromatography/mass spectrometry 2H and 13C enrichment curves. Six intubated infants with no primary lung disease were used as controls. Results Lung biopsy showed desquamative interstitial pneumonitis and lamellar body abnormalities suggestive of genetic surfactant deficiency. Genetic studies identified a heterozygous ABCA3 mutation, L941P, previously unreported. No SFTPB, SFTPC or NKX2.1 mutations or deletions were found. However, immunofluorescence studies showed TTF-1 prevalently expressed in type II cell cytoplasm instead of nucleus, indicating defective nuclear targeting. This pattern has not been reported in human and was not found in two healthy controls and in five ABCA3 mutation carriers. Kinetic studies demonstrated a marked reduction of SP-B synthesis (43.2 vs. 76.5 ± 24.8%/day); conversely, DSPC synthesis was higher (12.4 vs. 6.3 ± 0.5%/day) compared to controls, although there was a marked reduction of DSPC content in tracheal aspirates (29.8 vs. 56.1 ± 12.4% of total phospholipid content). Conclusion Defective TTF-1 signaling may result in profound surfactant homeostasis disruption and neonatal/pediatric diffuse lung disease. Heterozygous ABCA3 missense mutations may act as disease modifiers in other genetic surfactant defects. PMID:21867529

Non-dispersive carrier transport in molecularly doped polymers and the convection-diffusion equation

NASA Astrophysics Data System (ADS)

Tyutnev, A. P.; Parris, P. E.; Saenko, V. S.

2015-08-01

We reinvestigate the applicability of the concept of trap-free carrier transport in molecularly doped polymers and the possibility of realistically describing time-of-flight (TOF) current transients in these materials using the classical convection-diffusion equation (CDE). The problem is treated as rigorously as possible using boundary conditions appropriate to conventional time of flight experiments. Two types of pulsed carrier generation are considered. In addition to the traditional case of surface excitation, we also consider the case where carrier generation is spatially uniform. In our analysis, the front electrode is treated as a reflecting boundary, while the counter electrode is assumed to act either as a neutral contact (not disturbing the current flow) or as an absorbing boundary at which the carrier concentration vanishes. As expected, at low fields transient currents exhibit unusual behavior, as diffusion currents overwhelm drift currents to such an extent that it becomes impossible to determine transit times (and hence, carrier mobilities). At high fields, computed transients are more like those typically observed, with well-defined plateaus and sharp transit times. Careful analysis, however, reveals that the non-dispersive picture, and predictions of the CDE contradict both experiment and existing disorder-based theories in important ways, and that the CDE should be applied rather cautiously, and even then only for engineering purposes.

Large disparity between gallium and antimony self-diffusion in gallium antimonide.

PubMed

Bracht, H; Nicols, S P; Walukiewicz, W; Silveira, J P; Briones, F; Haller, E E

2000-11-02

The most fundamental mass transport process in solids is self-diffusion. The motion of host-lattice ('self-') atoms in solids is mediated by point defects such as vacancies or interstitial atoms, whose formation and migration enthalpies determine the kinetics of this thermally activated process. Self-diffusion studies also contribute to the understanding of the diffusion of impurities, and a quantitative understanding of self- and foreign-atom diffusion in semiconductors is central to the development of advanced electronic devices. In the past few years, self-diffusion studies have been performed successfully with isotopically controlled semiconductor heterostructures of germanium, silicon, gallium arsenide and gallium phosphide. Self-diffusion studies with isotopically controlled GaAs and GaP have been restricted to Ga self-diffusion, as only Ga has two stable isotopes, 69Ga and 71Ga. Here we report self-diffusion studies with an isotopically controlled multilayer structure of crystalline GaSb. Two stable isotopes exist for both Ga and Sb, allowing the simultaneous study of diffusion on both sublattices. Our experiments show that near the melting temperature, Ga diffuses more rapidly than Sb by over three orders of magnitude. This surprisingly large difference in atomic mobility requires a physical explanation going beyond standard diffusion models. Combining our data for Ga and Sb diffusion with related results for foreign-atom diffusion in GaSb (refs 8, 9), we conclude that the unusually slow Sb diffusion in GaSb is a consequence of reactions between defects on the Ga and Sb sublattices, which suppress the defects that are required for Sb diffusion.

Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged, and free excitons

PubMed Central

Tongay, Sefaattin; Suh, Joonki; Ataca, Can; Fan, Wen; Luce, Alexander; Kang, Jeong Seuk; Liu, Jonathan; Ko, Changhyun; Raghunathanan, Rajamani; Zhou, Jian; Ogletree, Frank; Li, Jingbo; Grossman, Jeffrey C.; Wu, Junqiao

2013-01-01

Point defects in semiconductors can trap free charge carriers and localize excitons. The interaction between these defects and charge carriers becomes stronger at reduced dimensionalities, and is expected to greatly influence physical properties of the hosting material. We investigated effects of anion vacancies in monolayer transition metal dichalcogenides as two-dimensional (2D) semiconductors where the vacancies density is controlled by α-particle irradiation or thermal-annealing. We found a new, sub-bandgap emission peak as well as increase in overall photoluminescence intensity as a result of the vacancy generation. Interestingly, these effects are absent when measured in vacuum. We conclude that in opposite to conventional wisdom, optical quality at room temperature cannot be used as criteria to assess crystal quality of the 2D semiconductors. Our results not only shed light on defect and exciton physics of 2D semiconductors, but also offer a new route toward tailoring optical properties of 2D semiconductors by defect engineering. PMID:24029823

Compact Models for Defect Diffusivity in Semiconductor Alloys.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wright, Alan F.; Modine, Normand A.; Lee, Stephen R.

Predicting transient effects caused by short - pulse neutron irradiation of electronic devices is an important part of Sandia's mission. For example , predicting the diffusion of radiation - induced point defects is needed with in Sandia's Qualification Alternative to the Sandia Pulsed Reactor (QASPR) pro gram since defect diffusion mediates transient gain recovery in QASPR electronic devices. Recently, the semiconductors used to fabricate radiation - hard electronic devices have begun to shift from silicon to III - V compounds such as GaAs, InAs , GaP and InP . An advantage of this shift is that it allows engineers tomore » optimize the radiation hardness of electronic devices by using alloy s such as InGaAs and InGaP . However, the computer codes currently being used to simulate transient radiation effects in QASP R devices will need to be modified since they presume that defect properties (charge states, energy levels, and diffusivities) in these alloys do not change with time. This is not realistic since the energy and properties of a defect depend on the types of atoms near it and , therefore, on its location in the alloy. In particular, radiation - induced defects are created at nearly random locations in an alloy and the distribution of their local environments - and thus their energies and properties - evolves with time as the defects diffuse through the alloy . To incorporate these consequential effects into computer codes used to simulate transient radiation effects, we have developed procedures to accurately compute the time dependence of defect energies and properties and then formulate them within compact models that can be employed in these computer codes. In this document, we demonstrate these procedures for the case of the highly mobile P interstitial (I P ) in an InGaP alloy. Further dissemination only as authorized to U.S. Government agencies and their contractors; other requests shall be approved by the originating facility or higher DOE programmatic authority.« less

Robust Multiple-Range Coherent Quantum State Transfer.

PubMed

Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

2016-07-01

We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise.

Carrier Transport and Effective Barrier Height of Low Resistance Metal Contact to Highly Mg-Doped p-GaN

NASA Astrophysics Data System (ADS)

Park, Youngjun; Kim, Hyunsoo

2011-08-01

The effective barrier height and carrier transport mechanism of low resistance Ag-based contact to highly Mg-doped p-GaN were investigated. The specific contact resistance obtained was as low as 7.0×10-4 Ω cm2. The electrical resistivity of p-GaN was found to increase depending on ˜T-1/4, indicating variable-range hopping (VRH) conduction through Mg-related deep-level defects. Based on the VRH conduction model, the effective barrier height for carrier transport could be measured as 0.12 eV, which is low enough to explain the formation of excellent ohmic contact. The deep-level defects were also found to induce surface Fermi pinning.

Unique reliability characteristics of fully depleted silicon-on-insulator tunneling FET

NASA Astrophysics Data System (ADS)

Kang, Soo Cheol; Lim, Donghwan; Lim, Sung Kwan; Noh, Jinwoo; Kim, Seung-Mo; Lee, Sang Kyung; Choi, Changhwan; Lee, Byoung Hun

2018-04-01

This study investigated the unique reliability characteristics of tunneling field effect transistors (TFETs) by comparing the effects of positive bias temperature instability (PBTI) and hot carrier injection (HCI) stresses. In case of hot carrier injection (HCI) stress, the interface trap generation near a p/n+ region was the primary degradation mechanism. However, strong recovery after a high-pressure hydrogen annealing and weak degradation at low temperature indicates that the degradation mechanism of TFET under the HCI stress is different from the high-energy carrier stress induced permanent defect generation mechanism observed in MOSFETs. Further study is necessary to identify the exact location and defect species causing TFET degradation; however, a significant difference is evident between the dominant reliability mechanism of TFET and MOSFET.

Myocardial function and perfusion in the CREST syndrome variant of progressive systemic sclerosis. Exercise radionuclide evaluation and comparison with diffuse scleroderma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Follansbee, W.P.; Curtiss, E.I.; Medsger, T.A. Jr.

1984-09-01

Myocardial function and perfusion were evaluated in 22 patients with progressive systemic sclerosis with the CREST syndrome using exercise and radionuclide techniques, pulmonary function testing, and chest roentgenography. The results were compared with a similar study of 26 patients with progressive systemic sclerosis with diffuse scleroderma. The prevalence of thallium perfusion abnormalities was similar in the groups with CREST syndrome and diffuse scleroderma, (64 percent versus 77 percent), but the defects were significantly smaller in the CREST syndrome (p less than 0.01). Reperfusion thallium defects in the absence of extramural coronary artery disease were seen in 38 percent of patientsmore » with diffuse scleroderma. This finding was not seen in any of the patients with the CREST syndrome. In diffuse scleroderma, abnormalities of both right and left ventricular function were related to larger thallium perfusion defects. In the CREST syndrome, abnormalities of left ventricular function were minor, were seen only during exercise, and were unrelated to thallium perfusion defects. Abnormal resting right ventricular function was seen in 36 percent of the patients with the CREST syndrome and was associated with an isolated decrease in diffusing capacity of carbon monoxide. It is concluded that the cardiac manifestations of the CREST syndrome are distinct from those found in diffuse scleroderma. Unlike diffuse scleroderma, abnormalities of left ventricular function in the CREST syndrome are minor and are unrelated to abnormalities of coronary perfusion. Right ventricular dysfunction in the CREST syndrome appears to be primarily related to pulmonary vascular disease.« less

Control of ZnO Nanorod Defects to Enhance Carrier Transportation in p-Cu₂O/i-ZnO Nanorods/n-IGZO Heterojunction.

PubMed

Ke, Nguyen Huu; Trinh, Le Thi Tuyet; Mung, Nguyen Thi; Loan, Phan Thi Kieu; Tuan, Dao Anh; Truong, Nguyen Huu; Tran, Cao Vinh; Hung, Le Vu Tuan

2017-01-01

The p-Cu₂O/i-ZnO nanorods/n-IGZO heterojunctions were fabricated by electrochemical and sputtering method. ZnO nanorods were grown on conductive indium gallium zinc oxide (IGZO) thin film and then p-Cu₂O layer was deposited on ZnO nanorods to form the heterojunction. ZnO nanorods play an important role in carrier transport mechanisms and performance of the junction. The changing of defects in ZnO nanorods by annealing samples in air and vacuum have studied. The XRD, photoluminescence (PL) spectroscopy, and FTIR were used to study about structure, and defects in ZnO nanorods. The SEM, i–V characteristics methods were also used to define structure, electrical properties of the heterojunctions layers. The results show that the defects in ZnO nanorods affected remarkably on performance of heterojunctions of solar cells.

Effects of Electron Beam Irradiation and Thiol Molecule Treatment on the Properties of MoS2 Field Effect Transistors

NASA Astrophysics Data System (ADS)

Choi, Barbara Yuri; Cho, Kyungjune; Pak, Jinsu; Kim, Tae-Young; Kim, Jae-Keun; Shin, Jiwon; Seo, Junseok; Chung, Seungjun; Lee, Takhee

2018-05-01

We investigated the effects of the structural defects intentionally created by electron-beam irradiation with an energy of 30 keV on the electrical properties of monolayer MoS2 field effect transistors (FETs). We observed that the created defects by electron beam irradiation on the MoS2 surface working as trap sites deteriorated the carrier mobility and carrier concentration with increasing the subthreshold swing value and shifting the threshold voltage in MoS2 FETs. The electrical properties of electron-beam irradiated MoS2 FETs were slightly improved by treating the devices with thiol-terminated molecules which presumably passivated the structural defects of MoS2. The results of this study may enhance the understanding of the electrical properties of MoS2 FETs in terms of creating and passivating defect sites.

Microdefects and self-interstitial diffusion in crystalline silicon

NASA Astrophysics Data System (ADS)

Knowlton, William Barthelemy

In this thesis, a study is presented of D-defects and self-interstitial diffusion in silicon using Li ion (Lisp+) drifting in an electric field and transmission electron microscopy (TEM). Obstruction of Lisp+ drifting has been found in wafers from certain but not all FZ p-type Si. Incomplete Lisp+ drifting always occurs in the central region of the wafers. This work established that interstitial oxygen is not responsible for hindering Lisp+ drifting. The Osb i concentration was measured ({˜}2× 10sp{15}\\ cmsp{-3}) by local vibrational mode Fourier transform infrared spectroscopy and did not vary radially across the wafer. TEM was performed on a samples from the partially Lisp+ drifted area and compared to regions without D-defects. Precipitates were found only in the region containing D-defects that had partially Lisp+ drifted. This result indicates D-defects are responsible for the precipitation that halts the Lisp+ drift process. The precipitates were characterized using selected area diffraction (SAD) and image contrast analysis. The results suggested that the precipitates may cause stacking faults and their identity may be lithium silicides such as Lisb{21}Sisb5\\ and\\ Lisb{13}Sisb4. TEM revealed a decreasing distribution of Li precipitates as a function of Lisp+ drift depth along the growth direction. A preliminary model is presented that simulates Lisp+ drifting. The objective of the model is to incorporate the Li precipitate density distribution and Lisp+ drift depth to extract the size and capture cross-section of the D-defects. Nitrogen (N) doping has been shown to eliminate D-defects as measured by conventional techniques. However, Lisp+ drifting has shown that D-defects are indeed still present. Lisp+ drifting is able to detect D-defects at concentrations lower than conventional techniques. Lisp+ drifting and D-defects provide a useful means to study Si self-interstitial diffusion. The process modeling program SUPREM-IV was used to simulate the results of Si self-interstitial diffusion obtained from Lisp+ drifting experiments. Anomalous results from the Si self-interstitial diffusion experiments forced a re-examination of the possibility of thermal dissociation of D-defects. Thermal annealing experiments that were performed support this possibility. A review of the current literature illustrates the need for more research on the effects of thermal processing on FZ Si to understand the dissolution kinetics of D-defects.

Oxygen Tracer Diffusion in LA(z-x) SR(X) CUO(4-y) Single Crystals

NASA Technical Reports Server (NTRS)

Opila, Elizabeth J.; Tuller, Harry L.; Wuensch, Berhardt J.; Maier, Joachim

1993-01-01

The tracer diffusion of O-18 in La(2-x)Sr(x)CuO(4-y) single crystals (x = 0 to 0.12) has been measured from 400 to 700 C in 1 atm of oxygen using SIMS analysis. Evidence for diffusion by a vacancy mechanism was found at low strontium contents. Oxygen diffusivities for x greater than or = 0.07 were depressed by several orders of magnitude below the diffusivity for undoped La2CuO(4+/-y). The observed effects of strontium doping on oxygen diffusivity are discussed in terms of defect chemical models. The decreasing oxygen diffusivity with increasing strontium was attributed to the ordering of oxygen vacancies at large defect concentrations. A diffusion anisotropy D(sub ab)/D(sub c) of nearly 600 was also found at 500 C.

When intracellular logistics fails--genetic defects in membrane trafficking.

PubMed

Olkkonen, Vesa M; Ikonen, Elina

2006-12-15

The number of human genetic disorders shown to be due to defects in membrane trafficking has greatly increased during the past five years. Defects have been identified in components involved in sorting of cargo into transport carriers, vesicle budding and scission, movement of vesicles along cytoskeletal tracks, as well as in vesicle tethering, docking and fusion at the target membrane. The nervous system is extremely sensitive to such disturbances of the membrane trafficking machinery, and the majority of these disorders display neurological defects--particularly diseases affecting the motility of transport carriers along cytoskeletal tracks. In several disorders, defects in a component that represents a fundamental part of the trafficking machinery fail to cause global transport defects but result in symptoms limited to specific cell types and transport events; this apparently reflects the redundancy of the transport apparatus. In groups of closely related diseases such as Hermansky-Pudlak and Griscelli syndromes, identification of the underlying gene defects has revealed groups of genes in which mutations lead to similar phenotypic consequences. New functionally linked trafficking components and regulatory mechanisms have thus been discovered. Studies of the gene defects in trafficking disorders therefore not only open avenues for new therapeutic approaches but also significantly contribute to our knowledge of the fundamental mechanisms of intracellular membrane transport.

Effect of Thermal Diffusivity on the Detectability of TNDE

NASA Technical Reports Server (NTRS)

Zhao, Junduo; Chu, Tsuchin; Russell, Samuel S.

2000-01-01

The effect of thermal diffusively on the defect detectability in Carbon/Epoxy composite panels by transient thermography is presented in this paper. A series of Finite Element Models were constructed and analyzed to simulate the transient heat transfer phenomenon during Thermographic Non-destructive Evaluation (TNDE) of composite panels with square defects. Six common carbon fibers were considered. The models were built for composites with various combinations of fibers and volumetric ratios. Finite Element Analysis of these models showed the trends of the detectable range and the maximum thermal contrast versus the thermal diffusivity of various composites. Additionally, the trends of defect size to depth ratio and the thermal contrast has been investigated.

Influence of mass diffusion on the stability of thermophoretic growth of a solid from the vapor phase

NASA Technical Reports Server (NTRS)

Castillo, J. L.; Garcia-Ybarra, P. L.; Rosner, D. E.

1991-01-01

The stability of solid planar growth from a binary vapor phase with a condensing species dilute in a carrier gas is examined when the ratio of depositing to carrier species molecular mass is large and the main diffusive transport mechanism is thermal diffusion. It is shown that a deformation of the solid-gas interface induces a deformation of the gas phase isotherms that increases the thermal gradients and thereby the local mass deposition rate at the crests and reduces them at the valleys. The initial surface deformation is enhanced by the modified deposition rates in the absence of appreciable Fick/Brownian diffusion and interfacial energy effects.

Experimental investigation of the excess charge and time constant of minority carriers in the thin diffused layer of 0.1 ohm-cm silicon solar cells

NASA Technical Reports Server (NTRS)

Godlewski, M. P.; Brandhorst, H. W., Jr.; Lindholm, F. A.; Sah, C. T.

1976-01-01

An experimental method is presented that can be used to interpret the relative roles of bandgap narrowing and recombination processes in the diffused layer. This method involves measuring the device time constant by open-circuit voltage decay and the base region diffusion length by X-ray excitation. A unique illuminated diode method is used to obtain the diode saturation current. These data are interpreted using a simple model to determine individually the minority carrier lifetime and the excess charge. These parameters are then used to infer the relative importance of bandgap narrowing and recombination processes in the diffused layer.

Lateral carrier diffusion and current gain in terahertz InGaAs/InP double-heterojunction bipolar transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiang, Han-Wei; Rode, Johann C.; Choudhary, Prateek

2014-01-21

The DC current gain in In{sub 0.53}Ga{sub 0.47}As/InP double-heterojunction bipolar transistors is computed based on a drift-diffusion model, and is compared with experimental data. Even in the absence of other scaling effects, lateral diffusion of electrons to the base Ohmic contacts causes a rapid reduction in DC current gain as the emitter junction width and emitter-base contact spacing are reduced. The simulation and experimental data are compared in order to examine the effect of carrier lateral diffusion on current gain. The impact on current gain due to device scaling and approaches to increase current gain are discussed.

Carrier-Mediated Cocaine Transport at the Blood-Brain Barrier as a Putative Mechanism in Addiction Liability

PubMed Central

Chapy, Hélène; Smirnova, Maria; André, Pascal; Schlatter, Joël; Chiadmi, Fouad; Couraud, Pierre-Olivier; Scherrmann, Jean-Michel; Declèves, Xavier

2015-01-01

Background: The rate of entry of cocaine into the brain is a critical factor that influences neuronal plasticity and the development of cocaine addiction. Until now, passive diffusion has been considered the unique mechanism known by which cocaine crosses the blood-brain barrier. Methods: We reassessed mechanisms of transport of cocaine at the blood-brain barrier using a human cerebral capillary endothelial cell line (hCMEC/D3) and in situ mouse carotid perfusion. Results: Both in vivo and in vitro cocaine transport studies demonstrated the coexistence of a carrier-mediated process with passive diffusion. At pharmacological exposure level, passive diffusion of cocaine accounted for only 22.5% of the total cocaine influx in mice and 5.9% in hCMEC/D3 cells, whereas the carrier-mediated influx rate was 3.4 times greater than its passive diffusion rate in vivo. The functional identification of this carrier-mediated transport demonstrated the involvement of a proton antiporter that shared the properties of the previously characterized clonidine and nicotine transporter. The functionnal characterization suggests that the solute carrier (SLC) transporters Oct (Slc22a1-3), Mate (Slc47a1) and Octn (Slc22a4-5) are not involved in the cocaine transport in vivo and in vitro. Diphenhydramine, heroin, tramadol, cocaethylene, and norcocaine all strongly inhibited cocaine transport, unlike benzoylecgonine. Trans-stimulation studies indicated that diphenhydramine, nicotine, 3,4-methylenedioxyamphetamine (ecstasy) and the cathinone compound 3,4-methylenedioxypyrovalerone (MDPV) were also substrates of the cocaine transporter. Conclusions: Cocaine transport at the BBB involves a proton-antiporter flux that is quantitatively much more important than its passive diffusion. The molecular identification and characterization of this transporter will provide new tools to understand its role in addictive mechanisms. PMID:25539501

The carrier gas pressure effect in a laminar flow diffusion chamber, homogeneous nucleation of n-butanol in helium.

PubMed

Hyvärinen, Antti-Pekka; Brus, David; Zdímal, Vladimír; Smolík, Jiri; Kulmala, Markku; Viisanen, Yrjö; Lihavainen, Heikki

2006-06-14

Homogeneous nucleation rate isotherms of n-butanol+helium were measured in a laminar flow diffusion chamber at total pressures ranging from 50 to 210 kPa to investigate the effect of carrier gas pressure on nucleation. Nucleation temperatures ranged from 265 to 280 K and the measured nucleation rates were between 10(2) and 10(6) cm(-3) s(-1). The measured nucleation rates decreased as a function of increasing pressure. The pressure effect was strongest at pressures below 100 kPa. This negative carrier gas effect was also temperature dependent. At nucleation temperature of 280 K and at the same saturation ratio, the maximum deviation between nucleation rates measured at 50 and 210 kPa was about three orders of magnitude. At nucleation temperature of 265 K, the effect was negligible. Qualitatively the results resemble those measured in a thermal diffusion cloud chamber. Also the slopes of the isothermal nucleation rates as a function of saturation ratio were different as a function of total pressure, 50 kPa isotherms yielded the steepest slopes, and 210 kPa isotherms the shallowest slopes. Several sources of inaccuracies were considered in the interpretation of the results: uncertainties in the transport properties, nonideal behavior of the vapor-carrier gas mixture, and shortcomings of the used mathematical model. Operation characteristics of the laminar flow diffusion chamber at both under-and over-pressure were determined to verify a correct and stable operation of the device. We conclude that a negative carrier gas pressure effect is seen in the laminar flow diffusion chamber and it cannot be totally explained with the aforementioned reasons.

Regional Microstructural and Volumetric Magnetic Resonance Imaging (MRI) Abnormalities in the Corpus Callosum of Neonates With Congenital Heart Defect Undergoing Cardiac Surgery.

PubMed

Hagmann, Cornelia; Singer, Jitka; Latal, Beatrice; Knirsch, Walter; Makki, Malek

2016-03-01

The purpose of the study is to investigate the structural development of the corpus callosum in term neonates with congenital heart defect before and after surgery using diffusion tensor imaging and 3-dimensional T1-weighted magnetic resonance imaging (MRI). We compared parallel and radial diffusions, apparent diffusion coefficient (ADC), fractional anisotropy, and volume of 5 substructures of the corpus callosum: genu, rostral body, body, isthmus, and splenium. Compared to healthy controls, we found a significantly lower volume of the splenium and total corpus callosum and a higher radial diffusion and lower fractional anisotropy in the splenium of patients presurgery; a lower volume in all substructures in the postsurgery group; higher radial diffusion in the rostral body, body, and splenium; and a higher apparent diffusion coefficient in the splenium of postsurgery patients. Similar fractional anisotropy changes in congenital heart defect patients were reported in preterm infants. Our findings in apparent diffusion coefficient in the splenium of these patients (pre and postsurgery) are comparable to findings in preterm neonates with psychomotor delay. Delayed maturation of the isthmus was also reported in preterm infants. © The Author(s) 2015.

Effect of nickel on point defects diffusion in Fe – Ni alloys

DOE PAGES

Anento, Napoleon; Serra, Anna; Osetsky, Yury N.

2017-05-05

Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the additionmore » of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.« less

Molecular dynamics analysis of diffusion of uranium and oxygen ions in uranium dioxide

NASA Astrophysics Data System (ADS)

Arima, T.; Yoshida, K.; Idemitsu, K.; Inagaki, Y.; Sato, I.

2010-03-01

Diffusion behaviours of oxygen and uranium were evaluated for bulk and grain-boundaries of uranium dioxide using the molecular dynamics (MD) simulation. It elucidated that oxygen behaved like liquid in superionic state at high temperatures and migrated on sub-lattice sites accompanying formation of lattice defects such as Frenkel defects at middle temperatures. Formation energies of Frenkel and Shottky defects were compared to literature data, and migration energies of oxygen and uranium were estimated by introducing vacancies into the supercell. For grain-boundaries (GB) modelled by the coincidence-site lattice theory, MD calculations showed that GB energy and diffusivities of oxygen and uranium increased with the misorientation angle. By analysing GB structures such as pair-correlation functions, it also showed that the disordered phase was observed for uranium as well as oxygen in GBs especially for a large misorientation angle such as S5 GB. Hence, GB diffusion was much larger than bulk diffusion for oxygen and uranium.

Oxygen diffusion in alpha-Al2O3. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Cawley, J. D.; Halloran, J. W.; Cooper, A. R.

1984-01-01

Oxygen self diffusion coefficients were determined in single crystal alpha-Al2O3 using the gas exchange technique. The samples were semi-infinite slabs cut from five different boules with varying background impurities. The diffusion direction was parallel to the c-axis. The tracer profiles were determined by two techniques, single spectrum proton activation and secondary ion mass spectrometry. The SIMS proved to be a more useful tool. The determined diffusion coefficients, which were insensitive to impurity levels and oxygen partial pressure, could be described by D = .00151 exp (-572kJ/RT) sq m/s. The insensitivities are discussed in terms of point defect clustering. Two independent models are consistent with the findings, the first considers the clusters as immobile point defect traps which buffer changes in the defect chemistry. The second considers clusters to be mobile and oxygen diffusion to be intrinsic behavior, the mechanism for oxygen transport involving neutral clusters of Schottky quintuplets.

Exciton diffusion in disordered small molecules for organic photovoltaics: insights from first-principles simulations.

PubMed

Li, Z; Zhang, X; Lu, G

2014-05-07

Exciton diffusion in small molecules 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione [DPP(TBFu)2] is studied using first-principles simulations. We have examined dependence of exciton diffusion on structure disorder, temperature and exciton energy. We find that exciton diffusion length and diffusivity increase with structural order, temperature and the initial exciton energy. Compared to conjugated polymer poly(3-hexylthiophene) (P3HT), DPP(TBFu)2 small molecules exhibit a much higher exciton diffusivity, but a shorter lifetime. The exciton diffusion length in DPP(TBFu)2 is 50% longer than that in P3HT, yielding a higher exciton harvesting efficiency; the physical origin behind these differences is discussed. The time evolutions of exciton energy, electron-hole distance, and exciton localization are explored, and the widely speculated exciton diffusion mechanism is confirmed theoretically. The connection between exciton diffusion and carrier mobilities is also studied. Finally we point out the possibility to estimate exciton diffusivity by measuring carrier mobilities under AC electric fields.

Hydrogel-embedded nanocrystalline hydroxyapatite granules (elastic blocks) based on a cross-linked polyvinylpyrrolidone as bone grafting substitute in a rat tibia model.

PubMed

Dau, Michael; Ganz, Cornelia; Zaage, Franziska; Frerich, Bernhard; Gerber, Thomas

2017-01-01

The aim of this study was to examine the in vivo characteristics and levels of integration and degradation of a ready-to-use bone grafting block with elastic properties (elastic block) for the use in surgery. Thirty-six male Wistar rats underwent surgical creation of a well-defined bone defect in the tibia. All created defects - one per animal - were filled with an unsintered nanocrystalline hydroxyapatite embedded either with a non-cross-linked hydrogel carrier (CONT, n=18) or a cross-linked hydrogel carrier (elastic block [EB], n=18) based on polyvinylpyrrolidone (PVP) and silica sol, respectively. The animals were killed after 12 (n=12), 21 (n=12) and 63 days (n=12). The bone formation and defect healing were quantified by histomorphometric measurements made in paraffin sections. Additionally, immunohistochemical (tartrate-resistant acid phosphatase [TRAP] and alkaline phosphatase [aP]), antibody-based examinations (CD68) and energy-dispersive x-ray scattering measurements of silica atom concentration were carried out. A larger remaining bone defect area overall was observed in EB after 12 days and 21 days. After 63 days, similar areas of remaining bone defects were found. The amount of the remaining carrier material in EB overall was higher at all times. In CONT no residual carrier material was found at 12 days and later. CD68 analyses showed significantly lower level of CD68-positive marked cells after 21 days in CONT, and nonsignificant differences at 12 and 63 days, respectively. Additionally, a significantly higher level of aP-positive marked cells was observed in CONT after 12 days. Later on, the levels of aP-positive marked cells were slightly higher in EB (21 and 63 days). Furthermore, no significant differences regarding the level of TRAP-positive marked cells in each group were observed. The bone substitute (EB) with the cross-linked PVP-based hydrogel carrier leads at the beginning to a higher amount of remaining carrier material and remaining bone substitute. This delayed degradation is supposed to be the reason for the observed lower level of bone remodeling and is caused by the irradiation changes (cross links) in the structure in PVP.

Hydrogel-embedded nanocrystalline hydroxyapatite granules (elastic blocks) based on a cross-linked polyvinylpyrrolidone as bone grafting substitute in a rat tibia model

PubMed Central

Dau, Michael; Ganz, Cornelia; Zaage, Franziska; Frerich, Bernhard; Gerber, Thomas

2017-01-01

Purpose The aim of this study was to examine the in vivo characteristics and levels of integration and degradation of a ready-to-use bone grafting block with elastic properties (elastic block) for the use in surgery. Materials and methods Thirty-six male Wistar rats underwent surgical creation of a well-defined bone defect in the tibia. All created defects – one per animal – were filled with an unsintered nanocrystalline hydroxyapatite embedded either with a non-cross-linked hydrogel carrier (CONT, n=18) or a cross-linked hydrogel carrier (elastic block [EB], n=18) based on polyvinylpyrrolidone (PVP) and silica sol, respectively. The animals were killed after 12 (n=12), 21 (n=12) and 63 days (n=12). The bone formation and defect healing were quantified by histomorphometric measurements made in paraffin sections. Additionally, immunohistochemical (tartrate-resistant acid phosphatase [TRAP] and alkaline phosphatase [aP]), antibody-based examinations (CD68) and energy-dispersive x-ray scattering measurements of silica atom concentration were carried out. Results A larger remaining bone defect area overall was observed in EB after 12 days and 21 days. After 63 days, similar areas of remaining bone defects were found. The amount of the remaining carrier material in EB overall was higher at all times. In CONT no residual carrier material was found at 12 days and later. CD68 analyses showed significantly lower level of CD68-positive marked cells after 21 days in CONT, and nonsignificant differences at 12 and 63 days, respectively. Additionally, a significantly higher level of aP-positive marked cells was observed in CONT after 12 days. Later on, the levels of aP-positive marked cells were slightly higher in EB (21 and 63 days). Furthermore, no significant differences regarding the level of TRAP-positive marked cells in each group were observed. Conclusion The bone substitute (EB) with the cross-linked PVP-based hydrogel carrier leads at the beginning to a higher amount of remaining carrier material and remaining bone substitute. This delayed degradation is supposed to be the reason for the observed lower level of bone remodeling and is caused by the irradiation changes (cross links) in the structure in PVP. PMID:29066890

Diffuse nutrient losses and the impact factors determining their regional differences in four catchments from North to South China

NASA Astrophysics Data System (ADS)

Zhang, Yongyong; Zhou, Yujian; Shao, Quanxi; Liu, Hongbin; Lei, Qiuliang; Zhai, Xiaoyan; Wang, Xuelei

2016-12-01

Diffuse nutrient loss mechanism is complicated and shows remarkably regional differences due to spatial heterogeneities of underlying surface conditions, climate and agricultural practices. Moreover, current available observations are still hard to support the identification of impact factors due to different time or space steps. In this study, an integrated water system model (HEQM) was adopted to obtain the simulated loads of diffuse components (carriers: runoff and sediment; nutrient: total nitrogen (TN) and total phosphorous (TP)) with synchronous scales. Multivariable statistical analysis approaches (Analysis of Similarity and redundancy analysis) were used to assess the regional differences, and to identify impact factors as well as their contributions. Four catchments were selected as our study areas, i.e., Xiahui and Zhangjiafen Catchments of Miyun Basin in North China, Yuliang and Tunxi Catchments of Xin'anjiang Basin in South China. Results showed that the model performances of monthly processes were very good for runoff and good for sediment, TN and TP. The annual average coefficients of all the diffuse components in Xin'anjiang Basin were much greater than those in Miyun Basin, and showed significantly regional differences. All the selected impact factors interpreted 72.87-82.16% of the regional differences of carriers, and 62.72-71.62% of those of nutrient coefficients, respectively. For individual impact factor categories, the critical category was geography, followed by land-use/cover, carriers, climate, as well as soil and agricultural practices in Miyun Basin, or agricultural practices and soil in Xin'anjiang Basin. For individual factors, the critical factors were locations for the carrier regional differences, and carriers or chemical fertilizer for the nutrient regional differences. This study is expected to promote further applications of integrated water system model and multivariable statistical analysis in the diffuse nutrient studies, and provide a scientific support for the diffuse pollution control and management in China.

Guanidinium: A Route to Enhanced Carrier Lifetime and Open-Circuit Voltage in Hybrid Perovskite Solar Cells.

PubMed

De Marco, Nicholas; Zhou, Huanping; Chen, Qi; Sun, Pengyu; Liu, Zonghao; Meng, Lei; Yao, En-Ping; Liu, Yongsheng; Schiffer, Andy; Yang, Yang

2016-02-10

Hybrid perovskites have shown astonishing power conversion efficiencies owed to their remarkable absorber characteristics including long carrier lifetimes, and a relatively substantial defect tolerance for solution-processed polycrystalline films. However, nonradiative charge carrier recombination at grain boundaries limits open circuit voltages and consequent performance improvements of perovskite solar cells. Here we address such recombination pathways and demonstrate a passivation effect through guanidinium-based additives to achieve extraordinarily enhanced carrier lifetimes and higher obtainable open circuit voltages. Time-resolved photoluminescence measurements yield carrier lifetimes in guanidinium-based films an order of magnitude greater than pure-methylammonium counterparts, giving rise to higher device open circuit voltages and power conversion efficiencies exceeding 17%. A reduction in defect activation energy of over 30% calculated via admittance spectroscopy and confocal fluorescence intensity mapping indicates successful passivation of recombination/trap centers at grain boundaries. We speculate that guanidinium ions serve to suppress formation of iodide vacancies and passivate under-coordinated iodine species at grain boundaries and within the bulk through their hydrogen bonding capability. These results present a simple method for suppressing nonradiative carrier loss in hybrid perovskites to further improve performances toward highly efficient solar cells.

Monte Carlo Modeling of VLWIR HgCdTe Interdigitated Pixel Response

NASA Astrophysics Data System (ADS)

D'Souza, A. I.; Stapelbroek, M. G.; Wijewarnasuriya, P. S.

2010-07-01

Increasing very long-wave infrared (VLWIR, λ c ≈ 15 μm) pixel operability was approached by subdividing each pixel into four interdigitated subpixels. High response is maintained across the pixel, even if one or two interdigitated subpixels are deselected (turned off), because interdigitation provides that the preponderance of minority carriers photogenerated in the pixel are collected by the selected subpixels. Monte Carlo modeling of the photoresponse of the interdigitated subpixel simulates minority-carrier diffusion from carrier creation to recombination. Each carrier generated at an appropriately weighted random location is assigned an exponentially distributed random lifetime τ i, where < τ i> is the bulk minority-carrier lifetime. The minority carrier is allowed to diffuse for a short time d τ, and the fate of the carrier is decided from its present position and the boundary conditions, i.e., whether the carrier is absorbed in a junction, recombined at a surface, reflected from a surface, or recombined in the bulk because it lived for its designated lifetime. If nothing happens, the process is then repeated until one of the boundary conditions is attained. The next step is to go on to the next carrier and repeat the procedure for all the launches of minority carriers. For each minority carrier launched, the original location and boundary condition at fatality are recorded. An example of the results from Monte Carlo modeling is that, for a 20- μm diffusion length, the calculated quantum efficiency (QE) changed from 85% with no subpixels deselected, to 78% with one subpixel deselected, 67% with two subpixels deselected, and 48% with three subpixels deselected. Demonstration of the interdigitated pixel concept and verification of the Monte Carlo modeling utilized λ c(60 K) ≈ 15 μm HgCdTe pixels in a 96 × 96 array format. The measured collection efficiency for one, two, and three subelements selected, divided by the collection efficiency for all four subelements selected, matched that calculated using Monte Carlo modeling.

N vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in TiN studied by ab-initio and classical molecular dynamics

NASA Astrophysics Data System (ADS)

Sangiovanni, Davide G.; Alling, Björn; Hultman, Lars; Abrikosov, Igor A.

2015-03-01

We use ab-initio and classical molecular dynamics (AIMD, CMD) to simulate diffusion of N vacancy and N self-interstitial point-defects in B1 TiN. The physical properties of TiN, important material system for thin film and coatings applications, are largely dictated by concentration and mobility of point defects. We determine N dilute-point-defect diffusion pathways, activation energies, attempt frequencies, and diffusion coefficients as a function of temperature. In addition, MD simulations reveal an unanticipated atomistic process, which controls the spontaneous formation of N-self-interstitial/N-vacancy pairs (Frenkel pairs) in defect-free TiN. This entails that a N lattice atom leaves its bulk position and bonds to a neighboring N lattice atom. In most cases, Frenkel-pair NI and NV recombine within a fraction of ns; 50% of these processes result in the exchange of two nitrogen lattice atoms. Occasionally, however, Frenkel-pair N-interstitial atoms permanently escape from the anion vacancy site, thus producing unpaired NI and NV point defects. The Knut and Alice Wallenberg foundation (Isotope Project, 2011.0094), the Swedish Research Council (VR) Linköping Linnaeus Initiative LiLi-NFM (Grant 2008-6572), and the Swedish Government Strategic Research (Grant MatLiU 2009-00971).

Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in B 1 TiN studied by ab initio and classical molecular dynamics with optimized potentials

NASA Astrophysics Data System (ADS)

Sangiovanni, D. G.; Alling, B.; Steneteg, P.; Hultman, L.; Abrikosov, I. A.

2015-02-01

We use ab initio and classical molecular dynamics (AIMD and CMD) based on the modified embedded-atom method (MEAM) potential to simulate diffusion of N vacancy and N self-interstitial point defects in B 1 TiN. TiN MEAM parameters are optimized to obtain CMD nitrogen point-defect jump rates in agreement with AIMD predictions, as well as an excellent description of Ti Nx(˜0.7

Solvent annealing of perovskite-induced crystal growth for photovoltaic-device efficiency enhancement

DOE PAGES

Xiao, Zhengguo; Dong, Qingfeng; Bi, Cheng; ...

2014-08-26

Solvent-annealing is found to be an effective method to increase the grain size and carrier diffusion lengths of trihalide perovskite materials. Thus, the carrier diffusion length of MAPbI 3 is increased to over 1 μm. The efficiency remains above 14.5% when the MAPbI 3 thickness changes from 250 nm to 1 μm, with the highest efficiency reaching 15.6%.

Electrical characterization and comparison of CIGS solar cells made with different structures and fabrication techniques

DOE PAGES

Garris, Rebekah L.; Johnston, Steven; Li, Jian V.; ...

2017-08-31

In a previous study, we reported on Cu(In,Ga)Se2-based (CIGS) solar cell samples collected from different research laboratories and industrial companies with the purpose of understanding the range of CIGS materials that can lead to high-quality and high-efficiency solar panels. Here, we report on electrical measurements of those same samples. Electron-beam induced current and time-resolved photoluminescence (TRPL) gave insights about the collection probability and the lifetime of carriers generated in each absorber. Capacitance and drive-level capacitance profiling revealed nonuniformity in carrier-density profiles. Admittance spectroscopy revealed small activation energies (= 0.03 eV) indicative of the inversion strength, larger activation energies (> 0.1more » eV) reflective of thermal activation of absorber conductivity and a deeper defect level. Deep-level transient spectroscopy (DLTS) probed deep hole-trapping defects and showed that all samples in this study had a majority-carrier defect with activation energy between 0.3 eV and 0.9 eV. Optical-DLTS revealed deep electron-trapping defects in several of the CIGS samples. This work focused on revealing similarities and differences between high-quality CIGS solar cells made with various structures and fabrication techniques.« less

Electrical characterization and comparison of CIGS solar cells made with different structures and fabrication techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garris, Rebekah L.; Johnston, Steven; Li, Jian V.

In a previous study, we reported on Cu(In,Ga)Se2-based (CIGS) solar cell samples collected from different research laboratories and industrial companies with the purpose of understanding the range of CIGS materials that can lead to high-quality and high-efficiency solar panels. Here, we report on electrical measurements of those same samples. Electron-beam induced current and time-resolved photoluminescence (TRPL) gave insights about the collection probability and the lifetime of carriers generated in each absorber. Capacitance and drive-level capacitance profiling revealed nonuniformity in carrier-density profiles. Admittance spectroscopy revealed small activation energies (= 0.03 eV) indicative of the inversion strength, larger activation energies (> 0.1more » eV) reflective of thermal activation of absorber conductivity and a deeper defect level. Deep-level transient spectroscopy (DLTS) probed deep hole-trapping defects and showed that all samples in this study had a majority-carrier defect with activation energy between 0.3 eV and 0.9 eV. Optical-DLTS revealed deep electron-trapping defects in several of the CIGS samples. This work focused on revealing similarities and differences between high-quality CIGS solar cells made with various structures and fabrication techniques.« less

Crystal defect studies using x-ray diffuse scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Larson, B.C.

1980-01-01

Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation intomore » dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.« less

X-ray analysis of temperature induced defect structures in boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Kegel, I.; Tilke, A.; Rouvière, J. L.; Lübbert, D.; Arthur, J.; Patel, J. R.

2002-10-01

We demonstrate the application of surface sensitive diffuse x-ray scattering under the condition of grazing incidence and exit angles to investigate growth and dissolution of near-surface defects after boron implantation in silicon(001) and annealing. Silicon wafers were implanted with a boron dose of 6×1015 ions/cm2 at 32 keV and went through different annealing treatments. From the diffuse intensity close to the (220) surface Bragg peak we reveal the nature and kinetic behavior of the implantation induced defects. Analyzing the q dependence of the diffuse scattering, we are able to distinguish between point defect clusters and extrinsic stacking faults on {111} planes. Characteristic for stacking faults are diffuse x-ray intensity streaks along <111> directions, which allow for the determination of their growth and dissolution kinetics. For the annealing conditions of our crystals, we conclude that the kinetics of growth can be described by an Ostwald ripening model in which smaller faults shrink at the expense of the larger stacking faults. The growth is found to be limited by the self-diffusion of silicon interstitials. After longer rapid thermal annealing the stacking faults disappear almost completely without shrinking, most likely by transformation into perfect loops via a dislocation reaction. This model is confirmed by complementary cross-sectional transmission electron microscopy.

Robust Multiple-Range Coherent Quantum State Transfer

PubMed Central

Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

2016-01-01

We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise. PMID:27364891

Defect characterization of silicon dendritic web ribbons

NASA Technical Reports Server (NTRS)

Cheng, L. J.

1985-01-01

Progress made in the study of defect characterization of silicon dendritic web ribbon is presented. Chemical etching is used combined with optical microscopy, as well as the electron beam induced current (EBIC) technique. Thermal annealing effect on carrier lifetime is examined.

Interplay of defect doping and Bernal-Fowler rules: A simulation study of the dynamics on ice lattices

NASA Astrophysics Data System (ADS)

Köster, K. W.; Klocke, T.; Wieland, F.; Böhmer, R.

2017-10-01

Protonic defects on ice lattices induced by doping with acids such as HCl and HF or bases such as KOH can facilitate order-disorder transitions. In laboratory experiments KOH doping is efficient in promoting the ordering transition from hexagonal ice I to ice XI, but it is ineffective for other known ice phases, for which HCl can trigger hydrogen ordering. Aiming at understanding these differences, random-walk simulations of the defect diffusion are performed on two- and three-dimensional ice lattices under the constraints imposed by the Bernal-Fowler ice rules. Effective defect diffusion coefficients are calculated for a range of dopants, concentrations, and ice phases. The interaction of different defects, incorporated by different dopants, is investigated to clarify the particular motion-enhancing role played by complementary defect pairs.

Effects of the unintentional background concentration, indium composition and defect density on the performance of InGaN p-i-n homojunction solar cells

NASA Astrophysics Data System (ADS)

Wu, Shudong; Cheng, Liwen; Wang, Qiang

2018-07-01

We theoretically investigate the effects of the unintentional background concentration, indium composition and defect density of intrinsic layer (i-layer) on the photovoltaic performance of InGaN p-i-n homojunction solar cells by solving the Poisson and steady-state continuity equations. The built-in electric field and carrier generation rate depend on the position within the i-layer. The collection efficiency, short circuit current density, open circuit voltage, fill factor, and conversion efficiency are found to depend strongly on the background concentration, thickness, indium composition, and defect density of the i-layer. With increasing the background concentration, the maximum thickness of field-bearing i-layer decreases, and the width of depletion region may become even too small to cover the whole i-layer, resulting in a serious decrease of the carrier collection. Some oscillations as a function of indium composition are found in the short circuit current density and conversion efficiency at high indium composition and low defect density due to the interference between the absorbance and the generation rate of carriers. The defect density degrades seriously the overall photovoltaic performance, and its effect on the photovoltaic performance is roughly seven orders of magnitude higher than the previously reported values [Feng et al., J. Appl. Phys. 108 (2010) 093118]. As a result, the high crystalline quality InGaN with high indium composition is a key factor in the device performance of III-nitride based solar cells.

Minority carrier diffusion length extraction in Cu2ZnSn(Se,S)4 solar cells

NASA Astrophysics Data System (ADS)

Gokmen, Tayfun; Gunawan, Oki; Mitzi, David B.

2013-09-01

We report measurement of minority carrier diffusion length (Ld) for high performance Cu2ZnSn(S,Se)4 (CZTSSe) solar cells in comparison with analogous Cu(In,Ga)(S,Se)2 (CIGSSe) devices. Our Ld extraction method involves performing systematic measurements of the internal quantum efficiency combined with separate capacitance-voltage measurement. This method also enables the measurement of the absorption coefficient of the absorber material as a function of wavelength in a finished device. The extracted values of Ld for CZTSSe samples are at least factor of 2 smaller than those for CIGSSe samples. Combined with minority carrier lifetime (τ) data measured by time-resolved photoluminescence, we deduce the minority carrier mobility (μe), which is also relatively low for the CZTSSe samples.

Correlation of film morphology and defect content with the charge-carrier transport in thin-film transistors based on ZnO nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Polster, S.; Jank, M. P. M.; Frey, L.

2016-01-14

The correlation of defect content and film morphology with the charge-carrier transport in field-effect devices based on zinc oxide nanoparticles was investigated. Changes in the defect content and the morphology were realized by annealing and sintering of the nanoparticle thin films. Temperature-dependent electrical measurements reveal that the carrier transport is thermally activated for both the unsintered and sintered thin films. Reduced energetic barrier heights between the particles have been determined after sintering. Additionally, the energetic barrier heights between the particles can be reduced by increasing the drain-to-source voltage and the gate-to-source voltage. The changes in the barrier height are discussedmore » with respect to information obtained by scanning electron microscopy and photoluminescence measurements. It is found that a reduction of surface states and a lower roughness at the interface between the particle layer and the gate dielectric lead to lower barrier heights. Both surface termination and layer morphology at the interface affect the barrier height and thus are the main criteria for mobility improvement and device optimization.« less

First-principles investigation of thermodynamic and kinetic properties in titanium-hydrogen system and B2-nickel-alminum compound: Phase stability, point defect complexes and diffusion

NASA Astrophysics Data System (ADS)

Xu, Qingchuan

The purpose of this thesis is to show the technique of predicting thermodynamic and kinetic properties from first-principles using density functional theory (DFT) calculations, cluster expansion methods and Monte Carlo simulations instead of experiments. Two material systems are selected as examples: one is an interstitial system (Ti-H system) and another is a substitutional compound (B2-NiAl alloy). For Ti-H system, this thesis investigated hydride stability, exploring the role of configurational degrees of freedom, zero-point vibrational energy and coherency strains. The tetragonal gamma-TiH phase was predicted to be unstable relative to hcp alpha-Ti and fcc based delta-TiH2. Zero point vibrational energy makes the gamma phase even less stable. The coherency strains between hydride precipitates and alpha-Ti matrix stabilize gamma-TiH relative to alpha-Ti and delta-TiH2. We also found that hydrogen prefers octahedral sites at low hydrogen concentration and tetrahedral sites at high concentration. For B2-NiAl, this thesis investigated the point defects and various diffusion mechanisms. A low barrier collective hop was discovered that could mediate Al diffusion through the anti-structural-bridge (ASB) mechanism. We also found an alternative hop sequence for the migration of a triple defect and a six-jump-cycle than that proposed previously. Going beyond the mean field approximation, we found that the inclusion of interactions among point defects is crucial to predict the concentration of defect complexes. Accounting for interactions among defects and incorporating all diffusion mechanisms proposed for B2-NiAl in Monte Carlo simulation, we calculated tracer diffusion coefficients. For the first time, the relative importance of various diffusion mechanisms is revealed. The ASB hop is the dominant mechanism for Ni in Ni-rich alloy and for Al diffusion in Al-rich alloys. Other mechanisms also play a role to various extents. We also calculated the self and interdiffusion coefficients for B2-NiAl. We found in Al-rich alloys that the thermodynamic factor of Al is much greater than that of Ni while in Ni-rich alloys they are very similar. This difference in thermodynamic factors results in a much higher self-diffusion coefficient of Al compared to that of Ni in Al-rich alloys and also causes two different interdiffusion coefficients.

Investigation of the evolution of nitrogen defects in flash-lamp-annealed InGaZnO films and their effects on transistor characteristics

NASA Astrophysics Data System (ADS)

Eom, Tae-Yil; Ahn, Chee-Hong; Kang, Jun-Gu; Saad Salman, Muhammad; Lee, Sun-Young; Kim, Yong-Hoon; Lee, Hoo-Jeong; Kang, Chan-Mo; Kang, Chiwon

2018-06-01

In this study, we show the evolution of nitrogen defects during a sol–gel reaction in flash-lamp-annealed InGaZnO (IGZO) films and their effects on the device characteristics of their thin-film transistors (TFTs). The flash lamp annealing (FLA) of the IGZO TFT for 16 s helps achieve a mobility of approximately 7 cm2 V‑1 s‑1. However, further extension of the annealing time results only in drastic increases in carrier concentration and off-current. The X-ray photoelectron spectroscopy (XPS) analysis of the N 1s peak unravels the presence of oxygen-vacancy-associated nitrogen defects and their evolution with annealing time, which is possibly responsible for the increase in carrier concentration.

Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo

DOE PAGES

Mayers, Matthew Z.; Berkelbach, Timothy C.; Hybertsen, Mark S.; ...

2015-10-09

Ground-state diffusion Monte Carlo is used to investigate the binding energies and intercarrier radial probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition-metal dichalcogenide materials. We compare these results to approximate variational calculations, as well as to analogous Monte Carlo calculations performed with simplified carrier interaction potentials. Our results highlight the successes and failures of approximate approaches as well as the physical features that determine the stability of small carrier complexes in monolayer transition-metal dichalcogenide materials. In conclusion, we discuss points of agreement and disagreement with recent experiments.

A graphene Zener-Klein transistor cooled by a hyperbolic substrate

NASA Astrophysics Data System (ADS)

Yang, Wei; Berthou, Simon; Lu, Xiaobo; Wilmart, Quentin; Denis, Anne; Rosticher, Michael; Taniguchi, Takashi; Watanabe, Kenji; Fève, Gwendal; Berroir, Jean-Marc; Zhang, Guangyu; Voisin, Christophe; Baudin, Emmanuel; Plaçais, Bernard

2018-01-01

The engineering of cooling mechanisms is a bottleneck in nanoelectronics. Thermal exchanges in diffusive graphene are mostly driven by defect-assisted acoustic phonon scattering, but the case of high-mobility graphene on hexagonal boron nitride (hBN) is radically different, with a prominent contribution of remote phonons from the substrate. Bilayer graphene on a hBN transistor with a local gate is driven in a regime where almost perfect current saturation is achieved by compensation of the decrease in the carrier density and Zener-Klein tunnelling (ZKT) at high bias. Using noise thermometry, we show that the ZKT triggers a new cooling pathway due to the emission of hyperbolic phonon polaritons in hBN by out-of-equilibrium electron-hole pairs beyond the super-Planckian regime. The combination of ZKT transport and hyperbolic phonon polariton cooling renders graphene on BN transistors a valuable nanotechnology for power devices and RF electronics.

Monolayer organic field effect phototransistors: photophysical characterization and modeling

NASA Astrophysics Data System (ADS)

Trukhanov, Vasily A.; Anisimov, Daniil S.; Bruevich, Vladimir V.; Agina, Elena V.; Borshchev, Oleg V.; Ponomarenko, Sergei; Zhang, Jiangbin; Bakulin, Artem A.; Paraschuk, Dmitri Yu.

2016-09-01

Organic field-effect transistors (OFET) can combine photodetection and light amplification and, for example, work as phototransistors. Such organic phototransistors can be used in light-controlled switches and amplifiers, detection circuits, and sensors of ultrasensitive images. In this work, we present photophysical characterization of well-defined ultrathin organic field-effect devices with a semiconductive channel based on Langmuir-Blodgett monolayer film. We observe clear generation of photocurrent under illumination with a modulated laser at 405 nm. The increase of photocurrent with the optical modulation frequency indicates the presence of defect states serving as traps for photogenerated carriers and/or the saturation of charge concentration in the thin active layer. We also propose a simple one-dimensional numerical model of a photosensitive OFET. The model is based on the Poisson, current continuity and drift-diffusion equations allows future evaluation of the photocurrent generation mechanism in the studied systems.

Grain-Size-Limited Mobility in Methylammonium Lead Iodide Perovskite Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reid, Obadiah G.; Yang, Mengjin; Kopidakis, Nikos

2016-09-09

We report a systematic study of the gigahertz-frequency charge carrier mobility found in methylammonium lead iodide perovskite films as a function of average grain size using time-resolved microwave conductivity and a single processing chemistry. Our measurements are in good agreement with the Kubo formula for the AC mobility of charges confined within finite grains, suggesting (1) that the surface grains imaged via scanning electron microscopy are representative of the true electronic domain size and not substantially subdivided by twinning or other defects not visible by microscopy and (2) that the time scale of diffusive transport across grain boundaries is muchmore » slower than the period of the microwave field in this measurement (-100 ps). The intrinsic (infinite grain size) minimum mobility extracted form the model is 29 +/- 6 cm2 V-1 s-1 at the probe frequency (8.9 GHz).« less

Electron-doping by hydrogen in transition-metal dichalcogenides

NASA Astrophysics Data System (ADS)

Oh, Sehoon; Im, Seongil; Choi, Hyoung Joon

Using first-principles calculations, we investigate the atomic and electronic structures of 2H-phase transition-metal dichalcogenides (TMDC), 2H-MX2, with and without defects, where M is Mo or W and X is S, Se or Te. We find that doping of atomic hydrogen on 2H-MX2 induces electron doping in the conduction band. To understand the mechanism of this electron doping, we analyze the electronic structures with and without impurities. We also calculate the diffusion energy barrier to discuss the spatial stability of the doping. Based on these results, we suggest a possible way to fabricate elaborately-patterned circuits by modulating the carrier type of 2H-MoTe2. We also discuss possible applications of this doping in designing nano-devices. This work was supported by NRF of Korea (Grant No. 2011-0018306) and KISTI supercomputing center (Project No. KSC-2016-C3-0052).

Silicon Solar Cell Process Development, Fabrication and Analysis, Phase 1

NASA Technical Reports Server (NTRS)

Yoo, H. I.; Iles, P. A.; Tanner, D. P.

1979-01-01

Solar cells from RTR ribbons, EFG (RF and RH) ribbons, dendritic webs, Silso wafers, cast silicon by HEM, silicon on ceramic, and continuous Czochralski ingots were fabricated using a standard process typical of those used currently in the silicon solar cell industry. Back surface field (BSF) processing and other process modifications were included to give preliminary indications of possible improved performance. The parameters measured included open circuit voltage, short circuit current, curve fill factor, and conversion efficiency (all taken under AM0 illumination). Also measured for typical cells were spectral response, dark I-V characteristics, minority carrier diffusion length, and photoresponse by fine light spot scanning. the results were compared to the properties of cells made from conventional single crystalline Czochralski silicon with an emphasis on statistical evaluation. Limited efforts were made to identify growth defects which will influence solar cell performance.

Nanostructured ZnO films with various morphologies prepared by ultrasonic spray pyrolysis and its growing process

NASA Astrophysics Data System (ADS)

Ma, H. L.; Liu, Z. W.; Zeng, D. C.; Zhong, M. L.; Yu, H. Y.; Mikmekova, E.

2013-10-01

Nanostructured ZnO films were prepared by the ultrasonic spray pyrolysis method using Zn(CH3COO)2·2H2O as a precursor. The effects of substrate temperature (Ts) on the morphology and properties were systematically studied. As the Ts increased from 430 °C to 610 °C, the morphology of the film transforms from closed packed nanosheets to dense nanocrystalline film and then to hexagonal nanorod array. The dense film formed at a temperature of 550 °C has the lowest electric resistivity and highest carrier concentration. The optical transmittance for all prepared samples was higher than 90%. The photoluminescence (PL) properties varied with the Ts due to the internal defect difference. The growth mechanism of ZnO film involves island growth and diffusion, which was evident by observing the samples prepared at various times.

First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4}-based thin-film photovoltaics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Varley, J. B.; Lordi, V.; He, X.

2016-01-14

We investigate point defects in CdS buffer layers that may arise from intermixing with Cu(In,Ga)Se{sub 2} (CIGSe) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) absorber layers in thin-film photovoltaics (PV). Using hybrid functional calculations, we characterize the migration barriers of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities and assess the activation energies necessary for their diffusion into the bulk of the buffer. We find that Cu, In, and Ga are the most mobile defects in CIGS-derived impurities, with diffusion expected to proceed into the buffer via interstitial-hopping and cadmium vacancy-assisted mechanisms at temperatures ∼400 °C. Cu is predicted to stronglymore » favor migration paths within the basal plane of the wurtzite CdS lattice, which may facilitate defect clustering and ultimately the formation of Cu-rich interfacial phases as observed by energy dispersive x-ray spectroscopic elemental maps in real PV devices. Se, Zn, and Sn defects are found to exhibit much larger activation energies and are not expected to diffuse within the CdS bulk at temperatures compatible with typical PV processing temperatures. Lastly, we find that Na interstitials are expected to exhibit slightly lower activation energies than K interstitials despite having a larger migration barrier. Still, we find both alkali species are expected to diffuse via an interstitially mediated mechanism at slightly higher temperatures than enable In, Ga, and Cu diffusion in the bulk. Our results indicate that processing temperatures in excess of ∼400 °C will lead to more interfacial intermixing with CdS buffer layers in CIGSe devices, and less so for CZTSSe absorbers where only Cu is expected to significantly diffuse into the buffer.« less

The influence of interfacial defects on fast charge trapping in nanocrystalline oxide-semiconductor thin film transistors

NASA Astrophysics Data System (ADS)

Kim, Taeho; Hur, Jihyun; Jeon, Sanghun

2016-05-01

Defects in oxide semiconductors not only influence the initial device performance but also affect device reliability. The front channel is the major carrier transport region during the transistor turn-on stage, therefore an understanding of defects located in the vicinity of the interface is very important. In this study, we investigated the dynamics of charge transport in a nanocrystalline hafnium-indium-zinc-oxide thin-film transistor (TFT) by short pulse I-V, transient current and 1/f noise measurement methods. We found that the fast charging behavior of the tested device stems from defects located in both the front channel and the interface, following a multi-trapping mechanism. We found that a silicon-nitride stacked hafnium-indium-zinc-oxide TFT is vulnerable to interfacial charge trapping compared with silicon-oxide counterpart, causing significant mobility degradation and threshold voltage instability. The 1/f noise measurement data indicate that the carrier transport in a silicon-nitride stacked TFT device is governed by trapping/de-trapping processes via defects in the interface, while the silicon-oxide device follows the mobility fluctuation model.

Minority carrier diffusion length and edge surface-recombination velocity in InP

NASA Technical Reports Server (NTRS)

Hakimzadeh, Roshanak; Bailey, Sheila G.

1993-01-01

A scanning electron microscope was used to obtain the electron-beam-induced current (EBIC) profiles in InP specimens containing a Schottky barrier perpendicular to the scanned (edge) surface. An independent technique was used to measure the edge surface-recombination velocity. These values were used in a fit of the experimental EBIC data with a theoretical expression for normalized EBIC (Donolato, 1982) to obtain the electron (minority carrier) diffusion length.

Ataxia-telangiectasia: founder effect among north African Jews.

PubMed

Gilad, S; Bar-Shira, A; Harnik, R; Shkedy, D; Ziv, Y; Khosravi, R; Brown, K; Vanagaite, L; Xu, G; Frydman, M; Lavin, M F; Hill, D; Tagle, D A; Shiloh, Y

1996-12-01

The ATM gene is responsible for the autosomal recessive disorder ataxia-telangiectasia (A-T), characterized by cerebellar degeneration, immunodeficiency and cancer predisposition. A-T carriers were reported to be moderately cancer-prone. A wide variety of A-T mutations, most of which are unique to single families, were identified in various ethnic groups, precluding carrier screening with mutation-specific assays. However, a single mutation was observed in 32/33 defective ATM alleles in Jewish A-T families of North African origin, coming from various regions of Morocco and Tunisia. This mutation, 103C-->T, results in a stop codon at position 35 of the ATM protein. In keeping with the nature of this mutation, various antibodies directed against the ATM protein failed to defect this protein in patient cells. A rapid carrier detection assay detected this mutation in three out of 488 ATM alleles of Jewish Moroccan or Tunisian origin. This founder effect provides a unique opportunity for population-based screening for A-T carriers in a large Jewish community.

Band gap grading and photovoltaic performance of solution-processed Cu(In,Ga)S2 thin-film solar cells.

PubMed

Sohn, So Hyeong; Han, Noh Soo; Park, Yong Jin; Park, Seung Min; An, Hee Sang; Kim, Dong-Wook; Min, Byoung Koun; Song, Jae Kyu

2014-12-28

The photophysical properties of CuInxGa1-xS2 (CIGS) thin films, prepared by solution-based coating methods, are investigated to understand the correlation between the optical properties of these films and the electrical characteristics of solar cells fabricated using these films. Photophysical properties, such as the depth-dependent band gap and carrier lifetime, turn out to be at play in determining the energy conversion efficiency of solar cells. A double grading of the band gap in CIGS films enhances solar cell efficiency, even when defect states disturb carrier collection by non-radiative decay. The combinational stacking of different density films leads to improved solar cell performance as well as efficient fabrication because a graded band gap and reduced shunt current increase carrier collection efficiency. The photodynamics of minority-carriers suggests that the suppression of defect states is a primary area of improvement in CIGS thin films prepared by solution-based methods.

Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations

DOE PAGES

Zhang, Lipeng; Liu, Bin; Zhuang, Houlong; ...

2016-04-01

Point defects and point defect diffusion contribute significantly to the properties of perovskite materials. However, even for the prototypical case of oxygen vacancies in SrTiO 3 (STO), predictions vary widely. Here we present a comprehensive and systematic study of the diffusion barriers for this material. We use density functional theory (DFT) and assess the role of different cell sizes, density functionals, and charge states. Our results show that vacancy-induced octahedral rotations, which are limited by the boundary conditions of the supercell, can significantly affect the computed oxygen vacancy diffusion energy barrier. The diffusion energy barrier of a charged oxygen vacancymore » is lower than that of a neutral one. Unexpectedly, we find that with increasing supercell size, the effects of the oxygen vacancy charge state, the type of DFT exchange and correlation functional on the energy barrier diminish, and the different DFT predictions asymptote to a value in the range of 0.39-0.49 eV. This work provides important insight and guidance that should be considered for investigations of point defect diffusion in other perovskite materials and in oxide superlattices.« less

Carrier dynamics and the role of surface defects: Designing a photocatalyst for gas-phase CO 2 reduction

DOE PAGES

Hoch, Laura B.; Szymanski, Paul; Ghuman, Kulbir Kaur; ...

2016-11-28

In 2O 3-x(OH) y nanoparticles have been shown to function as an effective gas-phase photocatalyst for the reduction of CO 2 to CO via the reverse water–gas shift reaction. Their photocatalytic activity is strongly correlated to the number of oxygen vacancy and hydroxide defects present in the system. To better understand how such defects interact with photogenerated electrons and holes in these materials, we have studied the relaxation dynamics of In 2O 3-x(OH) y nanoparticles with varying concentration of defects using two different excitation energies corresponding to above-band-gap (318-nm) and near-band-gap (405-nm) excitations. Our results demonstrate that defects play amore » significant role in the excited-state, charge relaxation pathways. Higher defect concentrations result in longer excited-state lifetimes, which are attributed to improved charge separation. This correlates well with the observed trends in the photocatalytic activity. These results are further supported by density-functional theory calculations, which confirm the positions of oxygen vacancy and hydroxide defect states within the optical band gap of indium oxide. This enhanced understanding of the role these defects play in determining the optoelectronic properties and charge carrier dynamics can provide valuable insight toward the rational development of more efficient photocatalytic materials for CO 2 reduction.« less

Carrier dynamics and the role of surface defects: Designing a photocatalyst for gas-phase CO 2 reduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoch, Laura B.; Szymanski, Paul; Ghuman, Kulbir Kaur

In 2O 3-x(OH) y nanoparticles have been shown to function as an effective gas-phase photocatalyst for the reduction of CO 2 to CO via the reverse water–gas shift reaction. Their photocatalytic activity is strongly correlated to the number of oxygen vacancy and hydroxide defects present in the system. To better understand how such defects interact with photogenerated electrons and holes in these materials, we have studied the relaxation dynamics of In 2O 3-x(OH) y nanoparticles with varying concentration of defects using two different excitation energies corresponding to above-band-gap (318-nm) and near-band-gap (405-nm) excitations. Our results demonstrate that defects play amore » significant role in the excited-state, charge relaxation pathways. Higher defect concentrations result in longer excited-state lifetimes, which are attributed to improved charge separation. This correlates well with the observed trends in the photocatalytic activity. These results are further supported by density-functional theory calculations, which confirm the positions of oxygen vacancy and hydroxide defect states within the optical band gap of indium oxide. This enhanced understanding of the role these defects play in determining the optoelectronic properties and charge carrier dynamics can provide valuable insight toward the rational development of more efficient photocatalytic materials for CO 2 reduction.« less

Effect of 60Co γ-irradiation on the nature of electronic transport in heavily doped n-type GaN based Schottky photodetectors

NASA Astrophysics Data System (ADS)

Chatterjee, Abhishek; Khamari, Shailesh K.; Porwal, S.; Kher, S.; Sharma, T. K.

2018-04-01

GaN Schottky photodetectors are fabricated on heavily doped n-type GaN epitaxial layers grown by the hydride vapour phase epitaxy technique. The effect of 60Co γ-radiation on the electronic transport in GaN epilayers and Schottky detectors is studied. In contrast to earlier observations, a steady rise in the carrier concentration with increasing irradiation dose is clearly seen. By considering a two layer model, the contribution of interfacial dislocations in carrier transport is isolated from that of the bulk layer for both the pristine and irradiated samples. The bulk carrier concentration is fitted by using the charge balance equation which indicates that no new electrically active defects are generated by γ-radiation even at 500 kGy dose. The irradiation induced rise in the bulk carrier concentration is attributed to the activation of native Si impurities that are already present in an electrically inert form in the pristine sample. Further, the rise in interfacial contribution in the carrier concentration is governed by the enhanced rate of formation of nitrogen vacancies by irradiation, which leads to a larger diffusion of oxygen impurities. A large value of the characteristic tunnelling energy for both the pristine and irradiated Au/Ni/GaN Schottky devices confirms that the dislocation-assisted tunnelling dominates the low temperature current transport even after irradiation. The advantage of higher displacement energy and larger bandgap of GaN as compared to GaAs is evident from the change in leakage current after irradiation. Further, a fast recovery of the photoresponse of GaN photodetectors after irradiation signifies their compatibility to operate in high radiation zones. The results presented here are found to be crucial in understanding the interaction of 60Co γ-irradiation with n+-GaN epilayers.

Direct determination of minority carrier diffusion lengths at axial GaAs nanowire p-n junctions.

PubMed

Gutsche, Christoph; Niepelt, Raphael; Gnauck, Martin; Lysov, Andrey; Prost, Werner; Ronning, Carsten; Tegude, Franz-Josef

2012-03-14

Axial GaAs nanowire p-n diodes, possibly one of the core elements of future nanowire solar cells and light emitters, were grown via the Au-assisted vapor-liquid-solid mode, contacted by electron beam lithography, and investigated using electron beam induced current measurements. The minority carrier diffusion lengths and dynamics of both, electrons and holes, were determined directly at the vicinity of the p-n junction. The generated photocurrent shows an exponential decay on both sides of the junction and the extracted diffusion lengths are about 1 order of magnitude lower compared to bulk material due to surface recombination. Moreover, the observed strong diameter-dependence is well in line with the surface-to-volume ratio of semiconductor nanowires. Estimating the surface recombination velocities clearly indicates a nonabrupt p-n junction, which is in essential agreement with the model of delayed dopant incorporation in the Au-assisted vapor-liquid-solid mechanism. Surface passivation using ammonium sulfide effectively reduces the surface recombination and thus leads to higher minority carrier diffusion lengths. © 2012 American Chemical Society

Electronic properties of crystalline Ge1-xSbxTey thin films

NASA Astrophysics Data System (ADS)

Fallica, Roberto; Volpe, Flavio; Longo, Massimo; Wiemer, Claudia; Salicio, Olivier; Abrutis, Adulfas

2012-09-01

Ge1-xSbxTey thin films, grown by metalorganic and hot-wire liquid injection chemical vapor deposition in different crystalline phases, are investigated to determine resistivity, carrier density, and carrier mobility in the 4.2-300 K temperature range. It is found that all these chalcogenides exhibit p-type conduction, high carrier density (>2 . 1020 cm-3), and no carrier freeze-out, regardless of composition. Low-temperature mobility data show that both chemical composition and growth technique affect the defect density and, in turn, the carrier scattering mechanisms. In this regard, charge carrier mobility is analyzed according to semi-empirical scattering models and an interpretation is provided.

How voluntary prenatal diagnosis and selective abortion increase the abnormal human gene pool.

PubMed

Boss, J A

1990-06-01

It is often assumed that prenatal diagnosis followed by the selective abortion of "defective" fetuses has a positive eugenic effect. Although mandatory selective abortion of "defective" fetuses and, more important, carriers would tend to reduce the number of deleterious genes in the gene pool, the present program of voluntary prenatal diagnosis and selective abortion actually increases the number of deleterious genes. This raises the issue of freedom of choice regarding selective abortion and societal pressure on parents to undergo prenatal testing and to abort their fetus should it have a genetic disorder or be a carrier of one.

Effect of hemoglobin polymerization on oxygen transport in hemoglobin solutions.

PubMed

Budhiraja, Vikas; Hellums, J David

2002-09-01

The effect of hemoglobin (Hb) polymerization on facilitated transport of oxygen in a bovine hemoglobin-based oxygen carrier was studied using a diffusion cell. In high oxygen tension gradient experiments (HOTG) at 37 degrees C the diffusion of dissolved oxygen in polymerized Hb samples was similar to that in unpolymerized Hb solutions during oxygen uptake. However, in the oxygen release experiments, the transport by diffusion of dissolved oxygen was augmented by diffusion of oxyhemoglobin over a range of oxygen saturations. The augmentation was up to 30% in the case of polymerized Hb and up to 100% in the case of unpolymerized Hb solution. In experiments performed at constant, low oxygen tension gradients in the range of physiological significance, the augmentation effect was less than that in the HOTG experiments. Oxygen transport in polymerized Hb samples was approximately the same as that in unpolymerized samples over a wide range of oxygen tensions. However, at oxygen tensions lower than 30 mm Hg, there were more significant augmentation effects in unpolymerized bovine Hb samples than in polymerized Hb. The results presented here are the first accurate, quantitative measurements of effective diffusion coefficients for oxygen transport in hemoglobin-based oxygen carriers of the type being evaluated to replace red cells in transfusions. In all cases the oxygen carrier was found to have higher effective oxygen diffusion coefficients than blood.

Effects of Substrate and Post-Growth Treatments on the Microstructure and Properties of ZnO Thin Films Prepared by Atomic Layer Deposition

NASA Astrophysics Data System (ADS)

Haseman, Micah; Saadatkia, P.; Winarski, D. J.; Selim, F. A.; Leedy, K. D.; Tetlak, S.; Look, D. C.; Anwand, W.; Wagner, A.

2016-12-01

Aluminum-doped zinc oxide (ZnO:Al) thin films were synthesized by atomic layer deposition on silicon, quartz and sapphire substrates and characterized by x-ray diffraction (XRD), high-resolution scanning electron microscopy, optical spectroscopy, conductivity mapping, Hall effect measurements and positron annihilation spectroscopy. XRD showed that the as-grown films are of single-phase ZnO wurtzite structure and do not contain any secondary or impurity phases. The type of substrate was found to affect the orientation and degree of crystallinity of the films but had no effect on the defect structure or the transport properties of the films. High conductivity of 10-3 Ω cm, electron mobility of 20 cm2/Vs and carrier density of 1020 cm-3 were measured in most films. Thermal treatments in various atmospheres induced a large effect on the thickness, structure and electrical properties of the films. Annealing in a Zn and nitrogen environment at 400°C for 1 h led to a 16% increase in the thickness of the film; this indicates that Zn extracts oxygen atoms from the matrix and forms new layers of ZnO. On the other hand, annealing in a hydrogen atmosphere led to the emergence of an Al2O3 peak in the XRD pattern, which implies that hydrogen and Al atoms compete to occupy Zn sites in the ZnO lattice. Only ambient air annealing had an effect on film defect density and electrical properties, generating reductions in conductivity and electron mobility. Depth-resolved measurements of positron annihilation spectroscopy revealed short positron diffusion lengths and high concentrations of defects in all as-grown films. However, these defects did not diminish the electrical conductivity in the films.

Acousto-defect interaction in irradiated and non-irradiated silicon n+-p structures

NASA Astrophysics Data System (ADS)

Olikh, O. Ya.; Gorb, A. M.; Chupryna, R. G.; Pristay-Fenenkov, O. V.

2018-04-01

The influence of ultrasound on current-voltage characteristics of non-irradiated silicon n+-p structures as well as silicon structures exposed to reactor neutrons or 60Co gamma radiation has been investigated experimentally. It has been found that the ultrasound loading of the n+-p structure leads to the reversible change of shunt resistance, carrier lifetime, and ideality factor. Specifically, considerable acoustically induced alteration of the ideality factor and the space charge region lifetime was observed in the irradiated samples. The experimental results were described by using the models of coupled defect level recombination, Shockley-Read-Hall recombination, and dislocation-induced impedance. The experimentally observed phenomena are associated with the increase in the distance between coupled defects as well as the extension of the carrier capture coefficient of complex point defects and dislocations. It has been shown that divacancies and vacancy-interstitial oxygen pairs are effectively modified by ultrasound in contrast to interstitial carbon-interstitial oxygen complexes.

Quasiparticle Scattering in the Rashba Semiconductor BiTeBr: The Roles of Spin and Defect Lattice Site.

PubMed

Butler, Christopher John; Yang, Po-Ya; Sankar, Raman; Lien, Yen-Neng; Lu, Chun-I; Chang, Luo-Yueh; Chen, Chia-Hao; Wei, Ching-Ming; Chou, Fang-Cheng; Lin, Minn-Tsong

2016-09-28

Observations of quasiparticle interference have been used in recent years to examine exotic carrier behavior at the surfaces of emergent materials, connecting carrier dispersion and scattering dynamics to real-space features with atomic resolution. We observe quasiparticle interference in the strongly Rashba split 2DEG-like surface band found at the tellurium termination of BiTeBr and examine two mechanisms governing quasiparticle scattering: We confirm the suppression of spin-flip scattering by comparing measured quasiparticle interference with a spin-dependent elastic scattering model applied to the calculated spectral function. We also use atomically resolved STM maps to identify point defect lattice sites and spectro-microscopy imaging to discern their varying scattering strengths, which we understand in terms of the calculated orbital characteristics of the surface band. Defects on the Bi sublattice cause the strongest scattering of the predominantly Bi 6p derived surface band, with other defects causing nearly no scattering near the conduction band minimum.

Improvement of Electrical Characteristics and Stability of Amorphous Indium Gallium Zinc Oxide Thin Film Transistors Using Nitrocellulose Passivation Layer.

PubMed

Shin, Kwan Yup; Tak, Young Jun; Kim, Won-Gi; Hong, Seonghwan; Kim, Hyun Jae

2017-04-19

In this research, nitrocellulose is proposed as a new material for the passivation layers of amorphous indium gallium zinc oxide thin film transistors (a-IGZO TFTs). The a-IGZO TFTs with nitrocellulose passivation layers (NC-PVLs) demonstrate improved electrical characteristics and stability. The a-IGZO TFTs with NC-PVLs exhibit improvements in field-effect mobility (μ FE ) from 11.72 ± 1.14 to 20.68 ± 1.94 cm 2 /(V s), threshold voltage (V th ) from 1.85 ± 1.19 to 0.56 ± 0.35 V, and on/off current ratio (I on/off ) from (5.31 ± 2.19) × 10 7 to (4.79 ± 1.54) × 10 8 compared to a-IGZO TFTs without PVLs, respectively. The V th shifts of a-IGZO TFTs without PVLs, with poly(methyl methacrylate) (PMMA) PVLs, and with NC-PVLs under positive bias stress (PBS) test for 10,000 s represented 5.08, 3.94, and 2.35 V, respectively. These improvements were induced by nitrogen diffusion from NC-PVLs to a-IGZO TFTs. The lone-pair electrons of diffused nitrogen attract weakly bonded oxygen serving as defect sites in a-IGZO TFTs. Consequently, the electrical characteristics are improved by an increase of carrier concentration in a-IGZO TFTs, and a decrease of defects in the back channel layer. Also, NC-PVLs have an excellent property as a barrier against ambient gases. Therefore, the NC-PVL is a promising passivation layer for next-generation display devices that simultaneously can improve electrical characteristics and stability against ambient gases.

Mechanism of Carrier Transport in Hybrid GaN/AlN/Si Solar Cells

NASA Astrophysics Data System (ADS)

Ekinci, Huseyin; Kuryatkov, Vladimir V.; Gherasoiu, Iulian; Karpov, Sergey Y.; Nikishin, Sergey A.

2017-10-01

The particularities of the carrier transport in p- n-GaN/ n-AlN/ p- n-Si and n-GaN/ n-AlN /p- n-Si structures were investigated through temperature-dependent current density and forward voltage ( J- V) measurements, carrier distribution, and transport modeling. Despite the insulating properties of AlN, reasonably high current densities were achieved under forward bias. The experimental relationship between the current density and forward voltage was accurately approximated by an expression accounting for space-charge-limited current in the AlN layer and non-linear characteristics of the p- n junction formed in silicon. We suggest that extended defects throughout the AlN volume are responsible for the conduction, although the limited data available do not allow the accurate identification of the type of these defects.

Direct minority carrier transport characterization of InAs/InAsSb superlattice nBn photodetectors

DOE PAGES

Zuo, Daniel; Liu, Runyu; Wasserman, Daniel; ...

2015-02-18

We present an extensive characterization of the minority carrier transport properties in an nBn mid-wave infrared detector incorporating a Ga-free InAs/InAsSb type-II superlattice as the absorbing region. Using a modified electron beam induced current technique in conjunction with time-resolved photoluminescence, we were able to determine several important transport parameters of the absorber region in the device, which uses a barrier layer to reduce dark current. For a device at liquid He temperatures we report a minority carrier diffusion length of 750 nm and a minority carrier lifetime of 202 ns, with a vertical diffusivity of 2.78 x 10 –2 cmmore » 2/s. We also report on the device's optical response characteristics at 78 K.« less

Determination of carrier diffusion length in GaN

NASA Astrophysics Data System (ADS)

Hafiz, Shopan; Zhang, Fan; Monavarian, Morteza; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit; Metzner, Sebastian; Bertram, Frank; Christen, Jürgen; Gil, Bernard

2015-01-01

Diffusion lengths of photo-excited carriers along the c-direction were determined from photoluminescence (PL) and cross-sectional cathodoluminescence (CL) measurements in p- and n-type GaN epitaxial layers grown on c-plane sapphire by metal-organic chemical vapor deposition. The investigated samples incorporate a 6 nm thick In0.15Ga0.85N active layer capped with either 500 nm p-GaN or 1500 nm n-GaN. The top GaN layers were etched in steps and PL from the InGaN active region and the underlying layers was monitored as a function of the top GaN thickness upon photo-generation near the surface region by above bandgap excitation. Taking into consideration the absorption in the top GaN layer as well as active and underlying layers, the diffusion lengths at 295 K and at 15 K were measured to be 93 ± 7 nm and 70 ± 7 nm for Mg-doped p-type GaN and 432 ± 30 nm and 316 ± 30 nm for unintentionally doped n-type GaN, respectively, at photogenerated carrier densities of 4.2 × 1018 cm-3 using PL spectroscopy. CL measurements of the unintentionally doped n-type GaN layer at much lower carrier densities of 1017 cm-3 revealed a longer diffusion length of 525 ± 11 nm at 6 K.

A Micro-Ark for Cells: Highly Open Porous Polyhydroxyalkanoate Microspheres as Injectable Scaffolds for Tissue Regeneration.

PubMed

Wei, Dai-Xu; Dao, Jin-Wei; Chen, Guo-Qiang

2018-06-19

To avoid large open surgery using scaffold transplants, small-sized cell carriers are employed to repair complexly shaped tissue defects. However, most cell carriers show poor cell adherences and viability. Therefore, polyhydroxyalkanoate (PHA), a natural biopolymer, is used to prepare highly open porous microspheres (OPMs) of 300-360 µm in diameter, combining the advantages of microspheres and scaffolds to serve as injectable carriers harboring proliferating stem cells. In addition to the convenient injection to a defected tissue, and in contrast to poor performances of OPMs made of polylactides (PLA OPMs) and traditional less porous hollow microspheres (PHA HMs), PHA OPMs present suitable surface pores of 10-60 µm and interconnected passages with an average size of 8.8 µm, leading to a high in vitro cell adhesion of 93.4%, continuous proliferation for 10 d and improved differentiation of human bone marrow mesenchymal stem cells (hMSCs). PHA OPMs also support stronger osteoblast-regeneration compared with traditional PHA HMs, PLA OPMs, commercial hyaluronic acid hydrogels, and carrier-free hMSCs in an ectopic bone-formation mouse model. PHA OPMs protect cells against stresses during injection, allowing more living cells to proliferate and migrate to damaged tissues. They function like a micro-Noah's Ark to safely transport cells to a defect tissue. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rationalizing long-lived photo-excited carriers in photocatalyst (La5Ti2CuS5O7) in terms of one-dimensional carrier transport

NASA Astrophysics Data System (ADS)

Suzuki, Yohichi; Singh, Rupashree Balia; Matsuzaki, Hiroyuki; Furube, Akihiro; Ma, Guijun; Hisatomi, Takashi; Domen, Kazunari; Seki, Kazuhiko

2016-09-01

The semiconductor La5Ti2CuS5O7 (LTC) is a potential photocatalyst capable of operating under visible light irradiation and behaves both as a photocathode and anode when embedded onto metal layers. Time-resolved diffuse reflectance (TRDR) measurements were carried out on LTC powder and LTC deposited on Au as the back contact using the particle-transfer method. Results of TRDR measurements of powdered LTC indicated the existence of long-lived photo-excited carriers, and suggested the existence of a mechanism for preventing carrier loss in LTC. Prior research has reported that LTC has a rod-shaped crystal structure and that electrons and holes are transported through different, spatially separated channels. Based on this, we introduced a one-dimensional carrier transport model. By analyzing TRDR data, we extracted material parameters such as the diffusion coefficient of LTC. Theoretical results indicated that a micron-sized LTC particle would be preferable if carriers trapped at the top-surface do contribute to photocatalytic gas generation.

Characterization of Deep and Shallow Levels in GaN

NASA Astrophysics Data System (ADS)

Wessels, Bruce

1997-03-01

The role of native defects and impurities in compensating n-type GaN was investigated. From the observed dependence of carrier concentration on dopant partial pressure the compensating acceptor in n-type material is attributed to the triply charged gallium vacancy. This is consistent with recent calculations on defect stability using density functional theory. The interaction of hydrogen and point defects in GaN was also investigated using FTIR. The role of these defects in compensation will be discussed.

Combined Microsatellite Instability, MLH1 Methylation Analysis, and Immunohistochemistry for Lynch Syndrome Screening in Endometrial Cancers From GOG210: An NRG Oncology and Gynecologic Oncology Group Study.

PubMed

Goodfellow, Paul J; Billingsley, Caroline C; Lankes, Heather A; Ali, Shamshad; Cohn, David E; Broaddus, Russell J; Ramirez, Nilsa; Pritchard, Colin C; Hampel, Heather; Chassen, Alexis S; Simmons, Luke V; Schmidt, Amy P; Gao, Feng; Brinton, Louise A; Backes, Floor; Landrum, Lisa M; Geller, Melissa A; DiSilvestro, Paul A; Pearl, Michael L; Lele, Shashikant B; Powell, Matthew A; Zaino, Richard J; Mutch, David

2015-12-20

The best screening practice for Lynch syndrome (LS) in endometrial cancer (EC) remains unknown. We sought to determine whether tumor microsatellite instability (MSI) typing along with immunohistochemistry (IHC) and MLH1 methylation analysis can help identify women with LS. ECs from GOG210 patients were assessed for MSI, MLH1 methylation, and mismatch repair (MMR) protein expression. Each tumor was classified as having normal MMR, defective MMR associated with MLH1 methylation, or probable MMR mutation (ie, defective MMR but no methylation). Cancer family history and demographic and clinical features were compared for the three groups. Lynch mutation testing was performed for a subset of women. Analysis of 1,002 ECs suggested possible MMR mutation in 11.8% of tumors. The number of patients with a family history suggestive of LS was highest among women whose tumors were classified as probable MMR mutation (P = .001). Lynch mutations were identified in 41% of patient cases classified as probable mutation (21 of 51 tested). One of the MSH6 Lynch mutations was identified in a patient whose tumor had intact MSH6 expression. Age at diagnosis was younger for mutation carriers than noncarriers (54.3 v 62.3 years; P < .01), with five carriers diagnosed at age > 60 years. Combined MSI, methylation, and IHC analysis may prove useful in Lynch screening in EC. Twenty-four percent of mutation carriers presented with ECs at age > 60 years, and one carrier had an MSI-positive tumor with no IHC defect. Restricting Lynch testing to women diagnosed at age < 60 years or to women with IHC defects could result in missing a substantial fraction of genetic disease. © 2015 by American Society of Clinical Oncology.

Combined Microsatellite Instability, MLH1 Methylation Analysis, and Immunohistochemistry for Lynch Syndrome Screening in Endometrial Cancers From GOG210: An NRG Oncology and Gynecologic Oncology Group Study

PubMed Central

Goodfellow, Paul J.; Billingsley, Caroline C.; Lankes, Heather A.; Ali, Shamshad; Cohn, David E.; Broaddus, Russell J.; Ramirez, Nilsa; Pritchard, Colin C.; Hampel, Heather; Chassen, Alexis S.; Simmons, Luke V.; Schmidt, Amy P.; Gao, Feng; Brinton, Louise A.; Backes, Floor; Landrum, Lisa M.; Geller, Melissa A.; DiSilvestro, Paul A.; Pearl, Michael L.; Lele, Shashikant B.; Powell, Matthew A.; Zaino, Richard J.; Mutch, David

2015-01-01

Purpose The best screening practice for Lynch syndrome (LS) in endometrial cancer (EC) remains unknown. We sought to determine whether tumor microsatellite instability (MSI) typing along with immunohistochemistry (IHC) and MLH1 methylation analysis can help identify women with LS. Patients and Methods ECs from GOG210 patients were assessed for MSI, MLH1 methylation, and mismatch repair (MMR) protein expression. Each tumor was classified as having normal MMR, defective MMR associated with MLH1 methylation, or probable MMR mutation (ie, defective MMR but no methylation). Cancer family history and demographic and clinical features were compared for the three groups. Lynch mutation testing was performed for a subset of women. Results Analysis of 1,002 ECs suggested possible MMR mutation in 11.8% of tumors. The number of patients with a family history suggestive of LS was highest among women whose tumors were classified as probable MMR mutation (P = .001). Lynch mutations were identified in 41% of patient cases classified as probable mutation (21 of 51 tested). One of the MSH6 Lynch mutations was identified in a patient whose tumor had intact MSH6 expression. Age at diagnosis was younger for mutation carriers than noncarriers (54.3 v 62.3 years; P < .01), with five carriers diagnosed at age > 60 years. Conclusion Combined MSI, methylation, and IHC analysis may prove useful in Lynch screening in EC. Twenty-four percent of mutation carriers presented with ECs at age > 60 years, and one carrier had an MSI-positive tumor with no IHC defect. Restricting Lynch testing to women diagnosed at age < 60 years or to women with IHC defects could result in missing a substantial fraction of genetic disease. PMID:26552419

Band gap modulation in magnetically doped low-defect thin films of (Bi1-xSbx)2 Te3 with minimized bulk carrier concentration

NASA Astrophysics Data System (ADS)

Maximenko, Yulia; Scipioni, Kane; Wang, Zhenyu; Katmis, Ferhat; Steiner, Charles; Weis, Adam; van Harlingen, Dale; Madhavan, Vidya

Topological insulators Bi2Te3 and Sb2Te3 are promising materials for electronics, but both are naturally prone to vacancies and anti-site defects that move the Fermi energy onto the bulk bands. Fabricating (Bi1-xSbx)2 Te3 (BST) with the tuned x minimizes point defects and unmasks topological surface states by reducing bulk carriers. BST thin films have shown topological surface states and quantum anomalous Hall effect. However, different studies reported variable Sb:Bi ratios used to grow an undoped BST film. Here, we develop a reliable way to grow defect-free subnanometer-flat BST thin films having the Fermi energy tuned to the Dirac point. High-resolution scanning tunneling microscopy (STM) and Landau level spectroscopy prove the importance of crystallinity and surface roughness-not only Sb:Bi ratio-for the final bulk carrier concentration. The BST thin films were doped with Cr and studied with STM with atomic resolution. Counterintuitively, Cr density is anticorrelated with the local band gap due to Cr's antiferromagnetic order. We analyze the correlations and report the relevant band gap values. Predictably, high external magnetic field compromises antiferromagnetic order, and the local band gap increases. US DOE DE-SC0014335; Moore Found. GBMF4860; F. Seitz MRL.

Development of self-healing polymers via amine-epoxy chemistry: I. Properties of healing agent carriers and the modelling of a two-part self-healing system

NASA Astrophysics Data System (ADS)

Zhang, He; Yang, Jinglei

2014-06-01

Two types of healing agent carriers (microcapsules containing epoxy solution, referred to as EP-capsules, and etched hollow glass bubbles (HGBs) loaded with amine solution, referred to as AM-HGBs) used in self-healing epoxy systems were prepared and characterized in this study. The core percentages were measured at about 80 wt% and 33 wt% for EP-capsules and AM-HGBs, respectively. The loaded amine in AM-HGB, after incorporation into the epoxy matrix, showed high stability at ambient temperature, but diffused out gradually during heat treatment at 80 °C. The amount and the mass ratio of the two released healants at the crack plane were correlated with the size, concentration, and core percentage of the healing agent carriers. A simplified cubic array model for randomly distributed healing agent carriers was adopted to depict the longest diffusion distance of the released healants, which is inversely proportional to the cubic root of the carrier concentration.

On Using Vernier Acuity to Assess Magnocellular Sensitivity

ERIC Educational Resources Information Center

Skottun, Bernt C.; Skoyles, John R.

2010-01-01

A recent study [Keri, S., & Benedek, G. (2009). Visual pathway deficit in female fragile x premutation carriers: A potential endophenotype. "Brain and Cognition", 69, 291-295] has found Vernier acuity deficiencies together with contrast sensitivity defects consistent with a magnocellular deficit in female fragile x premutation carriers. This may…

Proton irradiation effects on gallium nitride-based devices

NASA Astrophysics Data System (ADS)

Karmarkar, Aditya P.

Proton radiation effects on state-of-the-art gallium nitride-based devices were studied using Schottky diodes and high electron-mobility transistors. The device degradation was studied over a wide range of proton fluences. This study allowed for a correlation between proton irradiation effects between different types of devices and enhanced the understanding of the mechanisms responsible for radiation damage in GaN-based devices. Proton irradiation causes reduced carrier concentration and increased series resistance and ideality factor in Schottky diodes. 1.0-MeV protons cause greater degradation than 1.8-MeV protons because of their higher non-ionizing energy loss. The displacement damage in Schottky diodes recovers during annealing. High electron-mobility transistors exhibit extremely high radiation tolerance, continuing to perform up to a fluence of ˜1014 cm-2 of 1.8-MeV protons. Proton irradiation creates defect complexes in the thin-film structure. Decreased sheet carrier mobility due to increased carrier scattering and decreased sheet carrier density due to carrier removal by the defect centers are the primary damage mechanisms. Interface disorder at either the Schottky or the Ohmic contact plays a relatively unimportant part in overall device degradation in both Schottky diodes and high electron-mobility transistors.

Cs diffusion in SiC high-energy grain boundaries

NASA Astrophysics Data System (ADS)

Ko, Hyunseok; Szlufarska, Izabela; Morgan, Dane

2017-09-01

Cesium (Cs) is a radioactive fission product whose release is of concern for Tristructural-Isotropic fuel particles. In this work, Cs diffusion through high energy grain boundaries (HEGBs) of cubic-SiC is studied using an ab-initio based kinetic Monte Carlo (kMC) model. The HEGB environment was modeled as an amorphous SiC, and Cs defect energies were calculated using the density functional theory (DFT). From defect energies, it was suggested that the fastest diffusion mechanism is the diffusion of Cs interstitial in an amorphous SiC. The diffusion of Cs interstitial was simulated using a kMC model, based on the site and transition state energies sampled from the DFT. The Cs HEGB diffusion exhibited an Arrhenius type diffusion in the range of 1200-1600 °C. The comparison between HEGB results and the other studies suggests not only that the GB diffusion dominates the bulk diffusion but also that the HEGB is one of the fastest grain boundary paths for the Cs diffusion. The diffusion coefficients in HEGB are clearly a few orders of magnitude lower than the reported diffusion coefficients from in- and out-of-pile samples, suggesting that other contributions are responsible, such as radiation enhanced diffusion.

Carrier-mediated cocaine transport at the blood-brain barrier as a putative mechanism in addiction liability.

PubMed

Chapy, Hélène; Smirnova, Maria; André, Pascal; Schlatter, Joël; Chiadmi, Fouad; Couraud, Pierre-Olivier; Scherrmann, Jean-Michel; Declèves, Xavier; Cisternino, Salvatore

2014-10-31

The rate of entry of cocaine into the brain is a critical factor that influences neuronal plasticity and the development of cocaine addiction. Until now, passive diffusion has been considered the unique mechanism known by which cocaine crosses the blood-brain barrier. We reassessed mechanisms of transport of cocaine at the blood-brain barrier using a human cerebral capillary endothelial cell line (hCMEC/D3) and in situ mouse carotid perfusion. Both in vivo and in vitro cocaine transport studies demonstrated the coexistence of a carrier-mediated process with passive diffusion. At pharmacological exposure level, passive diffusion of cocaine accounted for only 22.5% of the total cocaine influx in mice and 5.9% in hCMEC/D3 cells, whereas the carrier-mediated influx rate was 3.4 times greater than its passive diffusion rate in vivo. The functional identification of this carrier-mediated transport demonstrated the involvement of a proton antiporter that shared the properties of the previously characterized clonidine and nicotine transporter. The functionnal characterization suggests that the solute carrier (SLC) transporters Oct (Slc22a1-3), Mate (Slc47a1) and Octn (Slc22a4-5) are not involved in the cocaine transport in vivo and in vitro. Diphenhydramine, heroin, tramadol, cocaethylene, and norcocaine all strongly inhibited cocaine transport, unlike benzoylecgonine. Trans-stimulation studies indicated that diphenhydramine, nicotine, 3,4-methylenedioxyamphetamine (ecstasy) and the cathinone compound 3,4-methylenedioxypyrovalerone (MDPV) were also substrates of the cocaine transporter. Cocaine transport at the BBB involves a proton-antiporter flux that is quantitatively much more important than its passive diffusion. The molecular identification and characterization of this transporter will provide new tools to understand its role in addictive mechanisms. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Defect engineering and luminescence characterization in bulk and thin film polycrystalline silicon

NASA Astrophysics Data System (ADS)

Koshka, Yaroslav

The passivation of recombination centers and the monitoring of passivation efficiency are critical for successful utilization of polycrystalline silicon (poly-Si) in solar cells and in thin-film transistors. Two important classes of poly-Si-thin films and bulk wafers-can respond differently to passivation processes (hydrogenation efficiency, possibilities of extrinsic and intrinsic gettering, etc.) and demand different approaches to their characterization. The effect of photoluminescence (PL) enhancement using ultrasound treatment (UST) was studied in poly-Si and amorphous-Si films on glass. In addition to the previously documented growth of the 0.7 eV oxygen related band in poly-Si films, generation and dramatic enhancement of a new luminescence maximum at about 0.98 eV occurs in films containing a superposition of poly-Si and alpha-Si phases. A model of ultrasound stimulated hydrogen detrapping followed by hydrogen diffusion and passivation of non-radiative centers was developed. Room temperature photoluminescence (PL) mapping was used to monitor improvement of recombination properties in bulk photovoltaic poly-Si during solar cell fabrication. Analysis of the statistical distribution of the values of PL enhancement shows that the contribution of individual processing steps to the increasing PL are different in nature. A correlation between PL mapping and minority carrier diffusion length was performed and quantitatively described. A method of obtaining separate information about the recombination properties of the bulk and the p/n junction regions of solar cells was developed. The method is based on measurements of PL distribution under different biases applied to solar cells and under different intensities of the excitation light. A PL study at 0.8 eV spectral maximum and comparison with the band-to-band PL was performed. Influence of the defects responsible for the 0.8 eV defect band was insignificant in as-grown wafers. It was revealed, however, that these defects start to determine non-homogeneity of recombination properties in poly-Si after the solar cell processing. Room-T electroluminescence (EL) mapping is shown to be a complimentary approach to characterize the bulk and the p/n junction regions of poly-Si solar cells. The major advantage of the EL approach is the possibility of instantaneous mapping of solar-grade poly-Si.

Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores

DOE PAGES

Perriot, Romain; Dholabhai, Pratik P.; Uberuaga, Blas P.

2017-05-04

In this paper, we use molecular dynamics simulations to investigate the role of grain boundaries (GBs) on ionic diffusion in pyrochlores, as a function of the GB type, chemistry of the compound, and level of cation disorder. We observe that the presence of GBs promotes oxygen transport in ordered and low-disordered systems, as the GBs are found to have a higher concentration of mobile carriers with higher mobilities than in the bulk. Thus, in ordered samples, the ionic diffusion is 2D, localized along the grain boundary. When cation disorder is introduced, bulk carriers begin to contribute to the overall diffusion,more » while the GB contribution is only slightly enhanced. In highly disordered samples, the diffusive behavior at the GBs is bulk-like, and the two contributions (bulk vs. GB) can no longer be distinguished. There is thus a transition from 2D/GB dominated oxygen diffusivity to 3D/bulk dominated diffusivity versus disorder in pyrochlores. Finally, these results provide new insights into the possibility of using internal interfaces to enhance ionic conductivity in nanostructured complex oxides.« less

Correlation between Photoluminescence and Carrier Transport and a Simple In Situ Passivation Method for High-Bandgap Hybrid Perovskites

DOE PAGES

Stoddard, Ryan J.; Eickemeyer, Felix T.; Katahara, John K.; ...

2017-06-21

High-bandgap mixed-halide hybrid perovskites have higher open-circuit voltage deficits and lower carrier diffusion lengths than their lower-bandgap counterparts. We have developed a ligand-assisted crystallization (LAC) technique that introduces additives in situ during the solvent wash and developed a new method to dynamically measure the absolute intensity steady-state photoluminescence and the mean carrier diffusion length simultaneously. The measurements reveal four distinct regimes of material changes and show that photoluminescence brightening often coincides with losses in carrier transport, such as in degradation or phase segregation. Further, the measurements enabled optimization of LAC on the 1.75 eV bandgap FA 0.83Cs 0.17Pb(I 0.66Br 0.34)more » 3, resulting in an enhancement of the photoluminescence quantum yield (PLQY) of over an order of magnitude, an increase of 80 meV in the quasi-Fermi level splitting (to 1.29 eV), an increase in diffusion length by a factor of 3.5 (to over 1 μm), and enhanced open-circuit voltage and short-circuit current from photovoltaics fabricated from the LAC-treated films.« less

Correlation between Photoluminescence and Carrier Transport and a Simple In Situ Passivation Method for High-Bandgap Hybrid Perovskites.

PubMed

Stoddard, Ryan J; Eickemeyer, Felix T; Katahara, John K; Hillhouse, Hugh W

2017-07-20

High-bandgap mixed-halide hybrid perovskites have higher open-circuit voltage deficits and lower carrier diffusion lengths than their lower-bandgap counterparts. We have developed a ligand-assisted crystallization (LAC) technique that introduces additives in situ during the solvent wash and developed a new method to dynamically measure the absolute intensity steady-state photoluminescence and the mean carrier diffusion length simultaneously. The measurements reveal four distinct regimes of material changes and show that photoluminescence brightening often coincides with losses in carrier transport, such as in degradation or phase segregation. Further, the measurements enabled optimization of LAC on the 1.75 eV bandgap FA 0.83 Cs 0.17 Pb(I 0.66 Br 0.34 ) 3 , resulting in an enhancement of the photoluminescence quantum yield (PLQY) of over an order of magnitude, an increase of 80 meV in the quasi-Fermi level splitting (to 1.29 eV), an increase in diffusion length by a factor of 3.5 (to over 1 μm), and enhanced open-circuit voltage and short-circuit current from photovoltaics fabricated from the LAC-treated films.

AN INFRARED DIFFUSE CIRCUMSTELLAR BAND? THE UNUSUAL 1.5272 μm DIB IN THE RED SQUARE NEBULA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zasowski, G.; Chojnowski, S. Drew; Whelan, D. G.

The molecular carriers of the ubiquitous absorption features called the diffuse interstellar bands (DIBs) have eluded identification for many decades, in part because of the enormous parameter space spanned by the candidates and the limited set of empirical constraints afforded by observations in the diffuse interstellar medium. Detection of these features in circumstellar regions, where the environmental properties are more easily measured, is thus a promising approach to understanding the chemical nature of the carriers themselves. Here, using high-resolution spectra from the Apache Point Observatory Galactic Evolution Experiment survey, we present an analysis of the unusually asymmetric 1.5272 μm DIBmore » feature along the sightline to the Red Square Nebula (RSN) and demonstrate the likely circumstellar origin of about half of the DIB absorption in this line of sight. This interpretation is supported both by the velocities of the feature components and by the ratio of foreground to total reddening along the line of sight. The RSN sightline offers the unique opportunity to study the behavior of DIB carriers in a constrained environment and thus to shed new light on the carriers themselves.« less

MO-G-BRF-07: Anomalously Fast Diffusion of Carbon Nanotubes Carriers in 3D Tissue Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Y; Bahng, J; Kotov, N

Purpose: We aim to investigate and understand diffusion process of carbon nanotubes (CNTs) and other nanoscale particles in tissue and organs. Methods: In this research, we utilized a 3D model tissue of hepatocellular carcinoma (HCC)cultured in inverted colloidal crystal (ICC) scaffolds to compare the diffusivity of CNTs with small molecules such as Rhodamine and FITC in vitro, and further investigated the transportation of CNTs with and without targeting ligand, TGFβ1. The real-time permeation profiles of CNTs in HCC tissue model with high temporal and spatial resolution was demonstrated by using standard confocal microscopy. Quantitative analysis of the diffusion process inmore » 3D was carried out using luminescence intensity in a series of Z-stack images obtained for different time points of the diffusion process after initial addition of CNTs or small molecules to the cell culture and the image data was analyzed by software ImageJ and Mathematica. Results: CNTs display diffusion rate in model tissues substantially faster than small molecules of the similar charge such as FITC, and the diffusion rate of CNTs are significantly enhanced with targeting ligand, TGFβ1. Conclusion: In terms of the advantages of in-vitro model, we were able to have access to measuring the rate of CNT penetration at designed conditions with variable parameters. And the findings by using this model, changed our understanding about advantages of CNTs as nanoscale drug carriers and provides design principles for making new drug carriers for both treatment and diagnostics. Additionally the fast diffusion opens the discussion of the best possible drug carriers to reach deep parts of cancerous tissues, which is often a prerequisite for successful cancer treatment. This work was supported by the Center for Photonic and Multiscale Nanomaterials funded by National Science Foundation Materials Research Science and Engineering Center program DMR 1120923. The work was also partially supported by NSF grant ECS-0601345; EFRI-BSBA 0938019; CBET 0933384; CBET 0932823; CBET 1036672, AFOSR MURI 444286-P061716 and NIH 1R21CA121841-01A2.« less

Dental caries and developmental defects of enamel in relation to fluoride levels in drinking water in an arid area of Sri Lanka.

PubMed

Ekanayake, L; van der Hoek, W

2002-01-01

The study was conducted to assess caries and developmental defects of enamel in relation to fluoride levels in drinking water and the association between caries experience and the severity of diffuse opacities in children living in Uda Walawe, an area with varying concentrations of fluoride in drinking water in Sri Lanka. A total of 518 14-year-old children who were lifelong residents in this area were examined for dental caries and developmental defects of enamel. But the present analysis is confined to 486 children from whom drinking water samples were collected. The prevalence of enamel defects and diffuse opacities ranged from 27 to 57% while the prevalence of caries ranged from 18 to 29% in the different fluoride exposure groups. The prevalence of enamel defects increased significantly with the increase in the fluoride level in drinking water. Both the caries prevalence and the mean caries experience were significantly higher in children with diffuse opacities than in those without in the group consuming water containing >0.70 mg/l of fluoride. The association between dental caries and the severity of diffuse opacities was also significant only in this group. Children with the mildest form of opacities (DDE scores 3 and 4) had the lowest DMFS (0.25 +/- 0.7), and the highest DMFS (1.1 +/- 1.7) was found in those with the most severe form of opacities (DDE score 6). In conclusion, the relationship that was observed in this study between fluoride levels in drinking water, diffuse opacities and caries suggests that the appropriate level of fluoride in drinking water for arid areas of Sri Lanka is around 0.3 mg/l. Also individuals with severe forms of enamel defects in high-fluoride areas are susceptible to dental caries. Copyright 2002 S. Karger AG, Basel

Dimensional control of defect dynamics in perovskite oxide superlattices

NASA Astrophysics Data System (ADS)

Bredeson, Isaac; Zhang, Lipeng; Kent, P. R. C.; Cooper, Valentino R.; Xu, Haixuan

2018-03-01

Point defects play a critical role in the structural, physical, and interfacial properties of perovskite oxide superlattices. However, understanding of the fundamental properties of point defects in superlattices, especially their transport properties, is rather limited. Here, we report predictions of the stability and dynamics of oxygen vacancies in SrTi O3/PbTi O3 oxide superlattices using first-principles calculations in combination with the kinetic Monte Carlo method. By varying the stacking period, i.e., changing of n in n STO /n PTO , we discover a crossover from three-dimensional diffusion to primarily two-dimensional planar diffusion. Such planar diffusion may lead to novel designs of ionic conductors. We show that the dominant vacancy position may vary in the superlattices, depending on the superlattice structure and stacking period, contradicting the common assumption that point defects reside at interfaces. Moreover, we predict a significant increase in room-temperature ionic conductivity for 3STO/3PTO relative to the bulk phases. Considering the variety of cations that can be accommodated in perovskite superlattices and the potential mismatch of spin, charge, and orbitals at the interfaces, this paper identifies a pathway to control defect dynamics for technological applications.

Ab initio modeling of point defects, self-diffusion, and incorporation of impurities in thorium

NASA Astrophysics Data System (ADS)

Daroca, D. Pérez

2017-02-01

Research on Generation-IV nuclear reactors has boosted the investigation of thorium as nuclear fuel. By means of first-principles calculations within the framework of density functional theory, structural properties and phonon dispersion curves of Th are obtained. These results agreed very well with previous ones. The stability and formation energies of vacancies, interstitial and divacancies are studied. It is found that vacancies are the energetically preferred defects. The incorporation energies of He, Xe, and Kr atoms in Th defects are analyzed. Self-diffusion, migration paths and activation energies are also calculated.

Self-diffusion of protons in H{sub 2}O ice VII at high pressures: Anomaly around 10 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noguchi, Naoki, E-mail: noguchi-n@okayama-u.ac.jp; Okuchi, Takuo

2016-06-21

The self-diffusion of ice VII in the pressure range of 5.5–17 GPa and temperature range of 400–425 K was studied using micro Raman spectroscopy and a diamond anvil cell. The diffusion was monitored by observing the distribution of isotope tracers: D{sub 2}O and H{sub 2}{sup 18}O. The diffusion coefficient of hydrogen reached a maximum value around 10 GPa. It was two orders of magnitude greater at 10 GPa than at 6 GPa. Hydrogen diffusion was much faster than oxygen diffusion, which indicates that protonic diffusion is the dominant mechanism for the diffusion of hydrogen in ice VII. This mechanism ismore » in remarkable contrast to the self-diffusion in ice I{sub h} that is dominated by an interstitial mechanism for the whole water molecule. An anomaly around 10 GPa in ice VII indicates that the rate-determining process for the proton diffusion changes from the diffusion of ionic defects to the diffusion of rotational defects, which was suggested by proton conductivity measurements and molecular dynamics simulations.« less

Electro-Optical Characterization | Photovoltaic Research | NREL

Science.gov Websites

Applications Detection Range Temperature Range Non-Destructive? Image/ Mapping? Photoluminescence spectroscopy Determine bandgap, material quality. Identify defects. 0.4-2.7 µm 4-300 K Yes Yes Minority-carrier lifetime distributions in silicon wafers. 103 to 108 defects/cm2 Room temperature No Yes Reflectance spectroscopy

Molecular dynamics simulation of the evolution of hydrophobic defects in one monolayer of a phosphatidylcholine bilayer: relevance for membrane fusion mechanisms.

PubMed Central

Tieleman, D Peter; Bentz, Joe

2002-01-01

The spontaneous formation of the phospholipid bilayer underlies the permeability barrier function of the biological membrane. Tears or defects that expose water to the acyl chains are spontaneously healed by lipid lateral diffusion. However, mechanical barriers, e.g., protein aggregates held in place, could sustain hydrophobic defects. Such defects have been postulated to occur in processes such as membrane fusion. This gives rise to a new question in bilayer structure: What do the lipids do in the absence of lipid lateral diffusion to minimize the free energy of a hydrophobic defect? As a first step to understand this rather fundamental question about bilayer structure, we performed molecular dynamic simulations of up to 10 ns of a planar bilayer from which lipids have been deleted randomly from one monolayer. In one set of simulations, approximately one-half of the lipids in the defect monolayer were restrained to form a mechanical barrier. In the second set, lipids were free to diffuse around. The question was simply whether the defects caused by removing a lipid would aggregate together, forming a large hydrophobic cavity, or whether the membrane would adjust in another way. When there are no mechanical barriers, the lipids in the defect monolayer simply spread out and thin with little effect on the other intact monolayer. In the presence of a mechanical barrier, the behavior of the lipids depends on the size of the defect. When 3 of 64 lipids are removed, the remaining lipids adjust the lower one-half of their chains, but the headgroup structure changes little and the intact monolayer is unaffected. When 6 to 12 lipids are removed, the defect monolayer thins, lipid disorder increases, and lipids from the intact monolayer move toward the defect monolayer. Whereas this is a highly simplified model of a fusion site, this engagement of the intact monolayer into the fusion defect is strikingly consistent with recent results for influenza hemagglutinin mediated fusion. PMID:12202375

An analysis of the effect of defect structures on catalytic surfaces by the boundary element technique

NASA Astrophysics Data System (ADS)

Peirce, Anthony P.; Rabitz, Herschel

1988-08-01

The boundary element (BE) technique is used to analyze the effect of defects on one-dimensional chemically active surfaces. The standard BE algorithm for diffusion is modified to include the effects of bulk desorption by making use of an asymptotic expansion technique to evaluate influences near boundaries and defect sites. An explicit time evolution scheme is proposed to treat the non-linear equations associated with defect sites. The proposed BE algorithm is shown to provide an efficient and convergent algorithm for modelling localized non-linear behavior. Since it exploits the actual Green's function of the linear diffusion-desorption process that takes place on the surface, the BE algorithm is extremely stable. The BE algorithm is applied to a number of interesting physical problems in which non-linear reactions occur at localized defects. The Lotka-Volterra system is considered in which the source, sink and predator-prey interaction terms are distributed at different defect sites in the domain and in which the defects are coupled by diffusion. This example provides a stringent test of the stability of the numerical algorithm. Marginal stability oscillations are analyzed for the Prigogine-Lefever reaction that occurs on a lattice of defects. Dissipative effects are observed for large perturbations to the marginal stability state, and rapid spatial reorganization of uniformly distributed initial perturbations is seen to take place. In another series of examples the effect of defect locations on the balance between desorptive processes on chemically active surfaces is considered. The effect of dynamic pulsing at various time-scales is considered for a one species reactive trapping model. Similar competitive behavior between neighboring defects previously observed for static adsorption levels is shown to persist for dynamic loading of the surface. The analysis of a more complex three species reaction process also provides evidence of competitive behavior between neighboring defect sites. The proposed BE algorithm is shown to provide a useful technique for analyzing the effect of defect sites on chemically active surfaces.

Influence of deep level intrinsic defects on the carrier transport in p-type Hg1- xCdxTe

NASA Astrophysics Data System (ADS)

Hoerstel, W.; Klimakow, A.; Kramer, R.

1990-04-01

The magnetic field dependence of the Hall effect in p-type Hg1- xCdxTe is analysed for determining the carrier densities and their mobilities in the mixed conduction range T = 70-250 K. A consistent description of the temperature dependence of the concentrations and mobilities of electrons and holes succeeds by taking into account energy-dependent momentum scattering times in the transport coefficients. Using this formalism, an energy level near 0.7 Eg above the valence band edge caused by intrinsic defects which were influenced by thermal treament is determined and discussed.

Electrical Conductivity of Rocks and Dominant Charge Carriers. Part 1; Thermally Activated Positive Holes

NASA Technical Reports Server (NTRS)

Freund, Friedemann T.; Freund, Minoru M.

2012-01-01

The prevailing view in the geophysics community is that the electrical conductivity structure of the Earth's continental crust over the 5-35 km depth range can best be understood by assuming the presence of intergranular fluids and/or of intragranular carbon films. Based on single crystal studies of melt-grown MgO, magma-derived sanidine and anorthosite feldspars and upper mantle olivine, we present evidence for the presence of electronic charge carriers, which derive from peroxy defects that are introduced during cooling, under non-equilibrium conditions, through a redox conversion of pairs of solute hydroxyl arising from dissolution of H2O.The peroxy defects become thermally activated in a 2-step process, leading to the release of defect electrons in the oxygen anion sublattice. Known as positive holes and symbolized by h(dot), these electronic charge carriers are highly mobile. Chemically equivalent to O(-) in a matrix of O(2-) they are highly oxidizing. Being metastable they can exist in the matrix of minerals, which crystallized in highly reduced environments. The h(dot) are highly mobile. They appear to control the electrical conductivity of crustal rocks in much of the 5-35 km depth range.

Cosegregation and functional analysis of mutant ABCR (ABCA4) alleles in families that manifest both Stargardt disease and age-related macular degeneration.

PubMed

Shroyer, N F; Lewis, R A; Yatsenko, A N; Wensel, T G; Lupski, J R

2001-11-01

Mutations in ABCR (ABCA4) have been reported to cause a spectrum of autosomal recessively inherited retinopathies, including Stargardt disease (STGD), cone-rod dystrophy and retinitis pigmentosa. Individuals heterozygous for ABCR mutations may be predisposed to develop the multifactorial disorder age-related macular degeneration (AMD). We hypothesized that some carriers of STGD alleles have an increased risk to develop AMD. We tested this hypothesis in a cohort of families that manifest both STGD and AMD. With a direct-sequencing mutation detection strategy, we found that AMD-affected relatives of STGD patients are more likely to be carriers of pathogenic STGD alleles than predicted based on chance alone. We further investigated the role of AMD-associated ABCR mutations by testing for expression and ATP-binding defects in an in vitro biochemical assay. We found that mutations associated with AMD have a range of assayable defects ranging from no detectable defect to apparent null alleles. Of the 21 missense ABCR mutations reported in patients with AMD, 16 (76%) show abnormalities in protein expression, ATP-binding or ATPase activity. We infer that carrier relatives of STGD patients are predisposed to develop AMD.

Polymeric micelles and nanoemulsions as tumor-targeted drug carriers: Insight through intravital imaging.

PubMed

Rapoport, Natalya; Gupta, Roohi; Kim, Yoo-Shin; O'Neill, Brian E

2015-05-28

Intravital imaging of nanoparticle extravasation and tumor accumulation has revealed, for the first time, detailed features of carrier and drug behavior in circulation and tissue that suggest new directions for optimization of drug nanocarriers. Using intravital fluorescent microscopy, the extent of the extravasation, diffusion in the tissue, internalization by tissue cells, and uptake by the RES system were studied for polymeric micelles, nanoemulsions, and nanoemulsion-encapsulated drug. Discrimination of vascular and tissue compartments in the processes of micelle and nanodroplet extravasation and tissue accumulation was possible. A simple 1-D continuum model was suggested that allowed discriminating between various kinetic regimes of nanocarrier (or released drug) internalization in tumors of various sizes and cell density. The extravasation and tumor cell internalization occurred much faster for polymeric micelles than for nanoemulsion droplets. Fast micelle internalization resulted in the formation of a perivascular fluorescent coating around blood vessels. A new mechanism of micelle extravasation and internalization was suggested, based on the fast extravasation and internalization rates of copolymer unimers while maintaining micelle/unimer equilibrium in the circulation. The data suggested that to be therapeutically effective, nanoparticles with high internalization rate should manifest fast diffusion in the tumor tissue in order to avoid generation of concentration gradients that induce drug resistance. However an extra-fast diffusion should be avoided as it may result in the flow of extravasated nanoparticles from the tumor to normal organs, which would compromise targeting efficiency. The extravasation kinetics were different for nanodroplets and nanodroplet-encapsulated drug F-PTX suggesting a premature release of some fraction of the drug from the carrier. In conclusion, the development of an "ideal" drug carrier should involve the optimization of both drug retention and carrier diffusion parameters. Copyright © 2015 Elsevier B.V. All rights reserved.

Experimental and computational results on exciton/free-carrier ratio, hot/thermalized carrier diffusion, and linear/nonlinear rate constants affecting scintillator proportionality

NASA Astrophysics Data System (ADS)

Williams, R. T.; Grim, Joel Q.; Li, Qi; Ucer, K. B.; Bizarri, G. A.; Kerisit, S.; Gao, Fei; Bhattacharya, P.; Tupitsyn, E.; Rowe, E.; Buliga, V. M.; Burger, A.

2013-09-01

Models of nonproportional response in scintillators have highlighted the importance of parameters such as branching ratios, carrier thermalization times, diffusion, kinetic order of quenching, associated rate constants, and radius of the electron track. For example, the fraction ηeh of excitations that are free carriers versus excitons was shown by Payne and coworkers to have strong correlation with the shape of electron energy response curves from Compton-coincidence studies. Rate constants for nonlinear quenching are implicit in almost all models of nonproportionality, and some assumption about track radius must invariably be made if one is to relate linear energy deposition dE/dx to volume-based excitation density n (eh/cm3) in terms of which the rates are defined. Diffusion, affecting time-dependent track radius and thus density of excitations, has been implicated as an important factor in nonlinear light yield. Several groups have recently highlighted diffusion of hot electrons in addition to thermalized carriers and excitons in scintillators. However, experimental determination of many of these parameters in the insulating crystals used as scintillators has seemed difficult. Subpicosecond laser techniques including interband z scan light yield, fluence-dependent decay time, and transient optical absorption are now yielding experimental values for some of the missing rates and ratios needed for modeling scintillator response. First principles calculations and Monte Carlo simulations can fill in additional parameters still unavailable from experiment. As a result, quantitative modeling of scintillator electron energy response from independently determined material parameters is becoming possible on an increasingly firmer data base. This paper describes recent laser experiments, calculations, and numerical modeling of scintillator response.

Experimental and computational results on exciton/free-carrier ratio, hot/thermalized carrier diffusion, and linear/nonlinear rate constants affecting scintillator proportionality

DOE PAGES

Williams, R. T.; Grim, Joel Q.; Li, Qi; ...

2013-09-26

Models of nonproportional response in scintillators have highlighted the importance of parameters such as branching ratios, carrier thermalization times, diffusion, kinetic order of quenching, associated rate constants, and radius of the electron track. For example, the fraction ηeh of excitations that are free carriers versus excitons was shown by Payne and coworkers to have strong correlation with the shape of electron energy response curves from Compton-coincidence studies. Rate constants for nonlinear quenching are implicit in almost all models of nonproportionality, and some assumption about track radius must invariably be made if one is to relate linear energy deposition dE/dx tomore » volume-based excitation density n (eh/cm 3) in terms of which the rates are defined. Diffusion, affecting time-dependent track radius and thus density of excitations, has been implicated as an important factor in nonlinear light yield. Several groups have recently highlighted diffusion of hot electrons in addition to thermalized carriers and excitons in scintillators. However, experimental determination of many of these parameters in the insulating crystals used as scintillators has seemed difficult. Subpicosecond laser techniques including interband z scan light yield, fluence-dependent decay time, and transient optical absorption are now yielding experimental values for some of the missing rates and ratios needed for modeling scintillator response. First principles calculations and Monte Carlo simulations can fill in additional parameters still unavailable from experiment. As a result, quantitative modeling of scintillator electron energy response from independently determined material parameters is becoming possible on an increasingly firmer data base. This study describes recent laser experiments, calculations, and numerical modeling of scintillator response.« less

Antibacterial, anti-inflammatory, and bone-regenerative dual-drug-loaded calcium phosphate nanocarriers-in vitro and in vivo studies.

PubMed

Madhumathi, K; Rubaiya, Y; Doble, Mukesh; Venkateswari, R; Sampath Kumar, T S

2018-05-01

A dual local drug delivery system (DDS) composed of calcium phosphate bioceramic nanocarriers aimed at treating the antibacterial, anti-inflammatory, and bone-regenerative aspects of periodontitis has been developed. Calcium-deficient hydroxyapatite (CDHA, Ca/P = 1.61) and tricalcium phosphate (β-TCP) were prepared by microwave-accelerated wet chemical synthesis method. The phase purity of the nanocarriers was confirmed by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR), while the transmission electron microscopy (TEM) confirmed their nanosized morphology. CDHA was selected as carrier for the antibiotic (tetracycline) while TCP was chosen as the anti-inflammatory drug (ibuprofen) carrier. Combined drug release profile was studied in vitro from CDHA/TCP (CTP) system and compared with a HA/TCP (BCP) biphasic system. The tetracycline and ibuprofen release rate was 71 and 23% from CTP system as compared to 63 and 20% from BCP system. CTP system also showed a more controlled drug release profile compared to BCP system. Modeling of drug release kinetics from CTP system indicated that the release follows Higuchi model with a non-typical Fickian diffusion profile. In vitro biological studies showed the CTP system to be biocompatible with significant antibacterial and anti-inflammatory activity. In vivo implantation studies on rat cranial defects showed greater bone healing and new bone formation in the drug-loaded CTP system compared to control (no carrier) at the end of 12 weeks. The in vitro and in vivo results suggest that the combined drug delivery platform can provide a comprehensive management for all bone infections requiring multi-drug therapy.

Direct minority carrier transport characterization of InAs/InAsSb superlattice nBn photodetectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zuo, Daniel, E-mail: dzuo@illinois.edu; Liu, Runyu; Wasserman, Daniel

2015-02-16

We present an extensive characterization of the minority carrier transport properties in an nBn mid-wave infrared detector incorporating a Ga-free InAs/InAsSb type-II superlattice as the absorbing region. Using a modified electron beam induced current technique in conjunction with time-resolved photoluminescence, we were able to determine several important transport parameters of the absorber region in the device, which uses a barrier layer to reduce dark current. For a device at liquid He temperatures, we report a minority carrier diffusion length of 750 nm and a minority carrier lifetime of 200 ns, with a vertical diffusivity of 3 × 10{sup −2} cm{sup 2}/s. We also report onmore » the device's optical response characteristics at 78 K.« less

Effect of Al doping on thermoelectric power of Mg1-xAlxB2 phonon drag and carrier diffusion contribution

NASA Astrophysics Data System (ADS)

Singh, Namita; Sharma, Roopam; Khenata, R.; Varshney, Dinesh

2018-05-01

The carrier diffusion contribution to the thermoelectric power (Scdiff) is calculated for MgB2, Mg0.9A10.1B2 and drag Mg0.8Al0.2B2 within two energy gap method. The phonon drag thermoelectric power (Sphdrag) in normal state dominate and is an artifact of strong phonon-impurity and phonon scattering mechanism. The conductivity within the relaxation time approximation for π and σ band carriers has been taken into account ignoring a possible energy dependence of the scattering rates. Both these channels for heat transfer are clubbed to get total thermoelectric power (Stotal) which starts departing from linear temperature dependence at about 150 K, before increasing at higher temperatures weakly. The anomalies reported are well accounted in terms of the scattering mechanism by phonon drag and carrier scattering with impurities, shows similar results as those revealed from experiments.

Unraveling Charge Carriers Generation, Diffusion, and Recombination in Formamidinium Lead Triiodide Perovskite Polycrystalline Thin Film.

PubMed

Piatkowski, Piotr; Cohen, Boiko; Ponseca, Carlito S; Salado, Manuel; Kazim, Samrana; Ahmad, Shahzada; Sundström, Villy; Douhal, Abderrazzak

2016-01-07

We report on studies of the formamidinium lead triiodide (FAPbI3) perovskite film using time-resolved terahertz (THz) spectroscopy (TRTS) and flash photolysis to explore charge carriers generation, migration, and recombination. The TRTS results show that upon femtosecond excitation above the absorption edge, the initial high photoconductivity (∼75 cm(2) V(-1) s(-1)) remains constant at least up to 8 ns, which corresponds to a diffusion length of 25 μm. Pumping below the absorption edge results in a mobility of 40 cm(2) V(-1) s(-1) suggesting lower mobility of charge carriers located at the bottom of the conduction band or shallow sub-bandgap states. Furthermore, analysis of the THz kinetics reveals rising components of <1 and 20 ps, reflecting dissociation of excitons having different binding energies. Flash photolysis experiments indicate that trapped charge carriers persist for milliseconds.

Fully Ab-Initio Determination of the Thermoelectric Properties of Half-Heusler NiTiSn: Crucial Role of Interstitial Ni Defects.

PubMed

Berche, Alexandre; Jund, Philippe

2018-05-23

For thermoelectric applications, ab initio methods generally fail to predict the transport properties of the materials because of their inability to predict properly the carrier concentrations that control the electronic properties. In this work, a methodology to fill in this gap is applied on the NiTiSn half Heusler phase. For that, we show that the main defects act as donor of electrons and are responsible of the electronic properties of the material. Indeed, the presence of Ni i interstitial defects explains the experimental valence band spectrum and its associated band gap reported in the literature. Moreover, combining the DOS of the solid solutions with the determination of the energy of formation of charged defects, we show that Ni i defects are also responsible of the measured carrier concentration in experimentally supposed "pure" NiTiSn compounds. Subsequently the thermoelectric properties of NiTiSn can be calculated using a fully ab initio description and an overall correct agreement with experiments is obtained. This methodology can be extended to predict the result of extrinsic doping and thus to select the most efficient dopant for specific thermoelectric applications.

Interpretation of scanning electron microscope measurements of minority carrier diffusion lengths in semiconductors

NASA Technical Reports Server (NTRS)

Flat, A.; Milnes, A. G.

1978-01-01

In scanning electron microscope (SEM) injection measurements of minority carrier diffusion lengths some uncertainties of interpretation exist when the response current is nonlinear with distance. This is significant in epitaxial layers where the layer thickness is not large in relation to the diffusion length, and where there are large surface recombination velocities on the incident and contact surfaces. An image method of analysis is presented for such specimens. A method of using the results to correct the observed response in a simple convenient way is presented. The technique is illustrated with reference to measurements in epitaxial layers of GaAs. Average beam penetration depth may also be estimated from the curve shape.

Molecular analysis of the NDP gene in two families with Norrie disease.

PubMed

Rivera-Vega, M Refugio; Chiñas-Lopez, Silvet; Vaca, Ana Luisa Jimenez; Arenas-Sordo, M Luz; Kofman-Alfaro, Susana; Messina-Baas, Olga; Cuevas-Covarrubias, Sergio Alberto

2005-04-01

To describe the molecular defects in the Norrie disease protein (NDP) gene in two families with Norrie disease (ND). We analysed two families with ND at molecular level through polymerase chain reaction, DNA sequence analysis and GeneScan. Two molecular defects found in the NDP gene were: a missense mutation (265C > G) within codon 97 that resulted in the interchange of arginine by proline, and a partial deletion in the untranslated 3' region of exon 3 of the NDP gene. Clinical findings were more severe in the family that presented the partial deletion. We also diagnosed the carrier status of one daughter through GeneScan; this method proved to be a useful tool for establishing female carriers of ND. Here we report two novel mutations in the NDP gene in Mexican patients and propose that GeneScan is a viable mean of establishing ND carrier status.

Dental enamel defects, caries experience and oral health-related quality of life: a cohort study.

PubMed

Arrow, P

2017-06-01

The impact of enamel defects of the first permanent molars on caries experience and child oral health-related quality of life was evaluated in a cohort study. Children who participated in a study of enamel defects of the first permanent molars 8 years earlier were invited for a follow-up assessment. Consenting children completed the Child Perception Questionnaire and the faces Modified Child Dental Anxiety Scale, and were examined by two calibrated examiners. ANOVA, Kruskal-Wallis, negative binomial and logistic regression were used for data analyses. One hundred and eleven children returned a completed questionnaire and 91 were clinically examined. Negative binomial regression found that oral health impacts were associated with gender (boys, risk ratio (RR) = 0.73, P = 0.03) and decayed, missing or filled permanent teeth (DMFT) (RR = 1.1, P = 0.04). The mean DMFT of children were sound (0.9, standard deviation (SD) = 1.4), diffuse defects (0.8, SD = 1.7), demarcated defects (1.5, SD = 1.4) and pit defects (1.3, SD = 2.3) (Kruskal-Wallis, P = 0.05). Logistic regression of first permanent molar caries found higher odds of caries experience with baseline primary tooth caries experience (odds ratio (OR) = 1.5, P = 0.01), the number of teeth affected by enamel defects (OR = 1.9, P = 0.05) and lower odds with the presence of diffuse enamel defects (OR = 0.1, P = 0.04). The presence of diffuse enamel defects was associated with lower odds of caries experience. © 2016 Australian Dental Association.

EPR and transient capacitance studies on electron-irradiated silicon solar cells

NASA Technical Reports Server (NTRS)

Lee, Y. H.; Cheng, L. J.; Mooney, P. M.; Corbett, J. W.

1977-01-01

One and two ohm-cm solar cells irradiated with 1 MeV electrons at 30 C were studied using both EPR and transient capacitance techniques. In 2 ohm-cm cells, Si-G6 and Si-G15 EPR spectra and majority carrier trapping levels at (E sub V + 0.23) eV and (E sub V + 0.38) eV were observed, each of which corresponded to the divacancy and the carbon-oxygen-vacancy complex, respectively. In addition, a boron-associated defect with a minority carrier trapping level at (E sub C -0.27) eV was observed. In 1 ohm-cm cells, the G15 spectrum and majority carrier trap at (E sub V + 0.38) eV were absent and an isotropic EPR line appeared at g = 1.9988 (+ or - 0.0003); additionally, a majority carrier trapping center at (E sub V + 0.32) eV, was found which could be associated with impurity lithium. The formation mechanisms of these defects are discussed according to isochronal annealing data in electron-irradiated p-type silicon.

Study on the mechanism of using IR illumination to improve the carrier transport performance of CdZnTe detector

NASA Astrophysics Data System (ADS)

Mao, Yifei; Zhang, Jijun; Lin, Liwen; Lai, Jianming; Min, Jiahua; Liang, Xiaoyan; Huang, Jian; Tang, Ke; Wang, Linjun

2018-04-01

Different wavelength IR light (770-1150 nm) was used to evaluate the effect of IR light on the carrier transport performance of CdZnTe detector. The effective mobility-lifetime product (μτ*) of CdZnTe achieved 10-2 cm2 V-1 when the IR wavelength was in the range of 820-920 nm, but decreased to 1 × 10-4 cm2 V-1 when the wavelength was longer than 920 nm. The mechanism about how IR light affecting the carrier transport property of CdZnTe detector was analyzed with Shockley-Read-Hall model. The defect of doubly ionized Cd vacancy ([VCd]2-) was found to be the main factor that assist IR light affecting the μτ of CdZnTe detector. The photoconductive experiment under 770-1150 nm IR illumination was carried out, and three kinds of photocurrent curve were detected and analyzed by solving the Hecht equation. The experiments demonstrated the effect of [VCd]2- defect on the carrier transport property of CdZnTe detector under IR illumination.

Estimation of Phonon and Carrier Thermal Conductivities for Bulk Thermoelectric Materials Using Transport Properties

NASA Astrophysics Data System (ADS)

Otsuka, Mioko; Homma, Ryoei; Hasegawa, Yasuhiro

2017-05-01

The phonon and carrier thermal conductivities of thermoelectric materials were calculated using the Wiedemann-Franz law, Boltzmann equation, and a method we propose in this study called the Debye specific heat method. We prepared polycrystalline n-type doped bismuth telluride (BiTe) and bismuth antimony (BiSb) bulk alloy samples and measured six parameters (Seebeck coefficient, resistivity, thermal conductivity, thermal diffusivity, magneto-resistivity, and Hall coefficient). The carrier density and mobility were estimated for calculating the carrier thermal conductivity by using the Boltzmann equation. In the Debye specific heat method, the phonon thermal diffusivity, and thermal conductivity were calculated from the temperature dependence of the effective specific heat by using not only the measured thermal conductivity and Debye model, but also the measured thermal diffusivity. The carrier thermal conductivity was also evaluated from the phonon thermal conductivity by using the specific heat. The ratio of carrier thermal conductivity to thermal conductivity was evaluated for the BiTe and BiSb samples, and the values obtained using the Debye specific heat method at 300 K were 52% for BiTe and <5.5% for BiSb. These values are either considerably larger or smaller than those obtained using other methods. The Dulong-Petit law was applied to validate the Debye specific heat method at 300 K, which is significantly greater than the Debye temperature of the BiTe and BiSb samples, and it was confirmed that the phonon specific heat at 300 K has been accurately reproduced using our proposed method.

Recombination activity associated with thermal donor generation in monocrystalline silicon and effect on the conversion efficiency of heterojunction solar cells

NASA Astrophysics Data System (ADS)

Tomassini, M.; Veirman, J.; Varache, R.; Letty, E.; Dubois, S.; Hu, Y.; Nielsen, Ø.

2016-02-01

The recombination properties of the carrier lifetime-limiting center formed during the generation of oxygen-related thermal donors (so called "old" thermal donors) in n-type Czochralski silicon were determined over a wide range of thermal donors' concentrations. The procedure involved (1) determining the various energy levels associated with dopants with the help of temperature Hall effect measurements, (2) clarifying which energy level limits the carrier lifetime by temperature lifetime spectroscopy, and (3) determining the recombination parameters of the involved defect from room-temperature carrier lifetime curves. Our results support the fact that a deep energy level in the range of 0.2-0.3 eV below the conduction band limits the carrier lifetime. The second family of thermal donors, featuring bistable properties, was tentatively identified as the corresponding defect. From the obtained experimental data, the influence of the defect on the amorphous/crystalline silicon heterojunction solar cell conversion efficiency was simulated. It is observed that for extended donor generation, the carrier lifetime is reduced by orders-of-magnitude, leading to unacceptable losses in photovoltaic conversion efficiency. A key result is that even for samples with thermal donor concentrations of 1015 cm-3—often met in seed portions of commercial ingots—simulations reveal efficiency losses greater than 1% absolute for state-of-the-art cells, in agreement with recent experimental studies from our group. This result indicates to crystal growers the importance to mitigate the formation of thermal donors or to develop cost-effective processes to suppress them at the ingot/wafer scale. This is even more critical as ingot cool-down is likely to be slower for future larger ingots, thus promoting the formation of thermal donors.

Vacancy clustering and its dissociation process in electroless deposited copper films studied by monoenergetic positron beams

NASA Astrophysics Data System (ADS)

Uedono, A.; Yamashita, Y.; Tsutsui, T.; Dordi, Y.; Li, S.; Oshima, N.; Suzuki, R.

2012-05-01

Positron annihilation was used to probe vacancy-type defects in electroless deposited copper films. For as-deposited films, two different types of vacancy-type defects were found to coexist; these were identified as vacancy aggregates (V3-V4) and larger vacancy clusters (˜V10). After annealing at about 200 °C, the defects started to diffuse toward the surface and aggregate. The same tendency has been observed for sulfur only, suggesting the formation of complexes between sulfur and vacancies. The defect concentration near the Cu/barrier-metal interface was high even after annealing above 600 °C, and this was attributed to an accumulation of vacancy-impurity complexes. The observed defect reactions were attributed to suppression of the vacancy diffusion to sinks through the formation of impurity-vacancy complexes. It was shown that electroless plating has a high potential to suppress the formation of voids/hillocks caused by defect migration.

Photo-conductive detection of continuous THz waves via manipulated ultrafast process in nanostructures

NASA Astrophysics Data System (ADS)

Moon, Kiwon; Lee, Eui Su; Lee, Il-Min; Park, Dong Woo; Park, Kyung Hyun

2018-01-01

Time-domain and frequency-domain terahertz (THz) spectroscopy systems often use materials fabricated with exotic and expensive methods that intentionally introduce defects to meet short carrier lifetime requirements. In this study, we demonstrate the development of a nano-photomixer that meets response speed requirements without using defect-incorporated, low-temperature-grown (LTG) semiconductors. Instead, we utilized a thin InGaAs layer grown on a semi-insulating InP substrate by metal-organic chemical vapor deposition (MOCVD) combined with nano-electrodes to manipulate local ultrafast photo-carrier dynamics via a carefully designed field-enhancement and plasmon effect. The developed nano-structured photomixer can detect continuous-wave THz radiation up to a frequency of 2 THz with a peak carrier collection efficiency of 5%, which is approximately 10 times better than the reference efficiency of 0.4%. The better efficiency results from the high carrier mobility of the MOCVD-grown InGaAs thin layer with the coincidence of near-field and plasmon-field distributions in the nano-structure. Our result not only provides a generally applicable methodology for manipulating ultrafast carrier dynamics by means of nano-photonic techniques to break the trade-off relation between the carrier lifetime and mobility in typical LTG semiconductors but also contributes to mass-producible photo-conductive THz detectors to facilitate the widespread application of THz technology.

Controllable Growth of Perovskite Films by Room-Temperature Air Exposure for Efficient Planar Heterojunction Photovoltaic Cells

DOE PAGES

Yang, Bin; Dyck, Ondrej; Poplawsky, Jonathan; ...

2015-12-01

A two-step-solution-processing approach has been established to grow void-free perovskite films for low-cost and high-performance planar heterojunction photovoltaic devices. We generally applied a high-temperature thermal annealing treatment in order to drive the diffusion of CH 3NH 3I precursor molecules into the compact PbI 2 layer to form perovskite films. But, thermal annealing for extended periods would lead to degraded device performance due to the defects generated by decomposition of perovskite into PbI 2. In this work, we explored a controllable layer-by-layer spin-coating method to grow bilayer CH 3NH 3I/PbI 2 films, and then drive the interdiffusion between PbI 2 andmore » CH 3NH 3I layers by a simple room-temperature-air-exposure for making well-oriented, highly-crystalline perovskite films without thermal annealing. This high degree of crystallinity resulted in a carrier diffusion length of ~ 800 nm and high device efficiency of 15.6%, which is comparable to the reported values from thermally-annealed perovskite films based counterparts. Finally, the simplicity and high device performance of this processing approach is highly promising for direct integration into industrial-scale device manufacture.« less

Photochemical and photocatalytic evaluation of 1D titanate/TiO2 based nanomaterials

NASA Astrophysics Data System (ADS)

Conceição, D. S.; Ferreira, D. P.; Graça, C. A. L.; Júlio, M. F.; Ilharco, L. M.; Velosa, A. C.; Santos, P. F.; Vieira Ferreira, L. F.

2017-01-01

One-dimensional (1D) titanate based nanomaterials were synthesized following an alkaline hydrothermal approach of commercial TiO2 nanopowder. The morphological features of all materials were monitored by means of scanning electron microscopy (SEM), transmission electron microscopy (TEM), and also Brunauer-Emmett-Teller (BET) technique. In addition the photochemical behaviour of these nanostructured materials were evaluated with the use of laser induced luminescence (LIL), ground-state diffuse reflectance (GSDR), and laser-flash photolysis in diffuse reflectance mode (DRLFP). The mixed titanate/TiO2 nanowires presented the least intense fluorescence spectra, suggesting the presence of surficial defects that can extend the lifetime of the excited charge carriers. A fluorescent 'rhodamine-like' dye was adsorbed onto different materials and examined via photoexcitation in the visible range to study the self-photosensitization mechanism. The presence of the radical cation of the dye and the degradation kinetics, when compared with a neutral substrate-cellulose, provided significant evidences regarding the photoactivity of the different materials. Regarding all the materials under study, the nanowires exhibited a strong photocatalytic efficiency, for the adsorbed fluorescent probe. The photocatalytic mechanism was also considered by studying the photodegradation capability of the titanate based materials in the presence of an herbicide, Amicarbazone, after ultraviolet (UVA) photoexcitation.

Impacts of Carrier Transport and Deep Level Defects on Delayed Cathodoluminescence in Droop-Mitigating InGaN/GaN LEDs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Zhibo; Singh, Akshay; Chesin, Jordan

Prevalent droop mitigation strategies in InGaN-based LEDs require structural and/or compositional changes in the active region but are accompanied by a detrimental reduction in external quantum efficiency (EQE) due to increased Shockley-Read-Hall recombination. Understanding the optoelectronic impacts of structural modifications in InGaN/GaN quantum wells (QW) remains critical for emerging high-power LEDs. In this work, we use a combination of electron microscopy tools along with standard electrical characterization to investigate a wide range of low-droop InGaN/GaN QW designs. We find that chip-scale EQE is uncorrelated with extended well-width fluctuations observed in scanning transmission electron microscopy. Further, we observe delayed cathodoluminescence (CL)more » response from designs in which calculated band profiles suggest facile carrier escape from individual QWs. Samples with the slowest CL responses also exhibit the lowest EQEs and highest QW defect densities in deep level optical spectroscopy. We propose a model in which the electron beam (i) passivates deep level defect states and (ii) drives charge carrier accumulation and subsequent reduction of the built-in field across the multi-QW active region, resulting in delayed radiative recombination. Finally, we correlate CL rise dynamics with capacitance-voltage measurements and show that certain early-time components of the CL dynamics reflect the open circuit carrier population within one or more QWs.« less

Insight into carrier lifetime impact on band-modulation devices

NASA Astrophysics Data System (ADS)

Parihar, Mukta Singh; Lee, Kyung Hwa; Park, Hyung Jin; Lacord, Joris; Martinie, Sébastien; Barbé, Jean-Charles; Xu, Yue; El Dirani, Hassan; Taur, Yuan; Cristoloveanu, Sorin; Bawedin, Maryline

2018-05-01

A systematic study to model and characterize the band-modulation Z2-FET device is developed bringing light to the relevance of the carrier lifetime influence. This work provides guidelines to optimize the Z2-FETs for sharp switching, ESD protection, and 1T-DRAM applications. Lower carrier lifetime in the Z2-FET helps in attaining the sharp switch. We provide new insights into the correlation between generation/recombination, diffusion, electrostatic barriers and carrier lifetime.

Physiologic abnormalities of cardiac function in progressive systemic sclerosis with diffuse scleroderma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Follansbee, W.P.; Curtiss, E.I.; Medsger, T.A. Jr.

1984-01-19

To investigate cardiopulmonary function in progressive systemic sclerosis with diffuse scleroderma, we studied 26 patients with maximal exercise and redistribution thallium scans, rest and exercise radionuclide ventriculography, pulmonary-function testing, and chest roentgenography. Although only 6 patients had clinical evidence of cardiac involvement, 20 had abnormal thallium scans, including 10 with reversible exercise-induced defects and 18 with fixed defects (8 had both). Seven of the 10 patients who had exercise-induced defects and underwent cardiac catheterization had normal coronary angiograms. Mean resting left ventricular ejection fraction and mean resting right ventricular ejection fraction were lower in patients with post-exercise left ventricular thalliummore » defect scores above the median (59 +/- 13 per cent vs. 69 +/- 6 per cent, and 36 +/- 12 per cent vs. 47 +/- 7 per cent, respectively). The authors conclude that in progressive systemic sclerosis with diffuse scleroderma, abnormalities of myocardial perfusion are common and appear to be due to a disturbance of the myocardial microcirculation. Both right and left ventricular dysfunction appear to be related to this circulatory disturbance, suggesting ischemically mediated injury.« less

Influence of defects and dopants on the photovoltaic performance of Bi 2S 3: First-principles insights

DOE PAGES

Han, Dan; Du, Mao -Hua; Dai, Chen -Min; ...

2017-02-23

Bi 2S 3 has attracted extensive attention recently as a light-absorber, sensitizer or electron acceptor material in various solar cells. Using first-principles calculations, we find that the photovoltaic efficiency of Bi 2S 3 solar cells is limited by its intrinsic point defects, i.e., both S vacancy and S interstitial can have high concentration and produce deep defect levels in the bandgap, leading to non-radiative recombination of electron–hole carriers and reduced minority carrier lifetime. Unexpectedly most of the intrinsic defects in Bi 2S 3, including even the S interstitial, act as donor defects, explaining the observed n-type conductivity and also causingmore » the high p-type conductivity impossible thermodynamically. Doping in Bi 2S 3 by a series of extrinsic elements is studied, showing that most of the dopant elements such as Cu, Br and Cl make the material even more n-type and only Pb doping makes it weakly p-type. Based on this, we propose that the surface region of n-type Bi 2S 3 nanocrystals in p-PbS/n-Bi 2S 3 nano-heterojunction solar cells may be type-inverted into p-type due to Pb doping, with a buried p–n junction formed in the Bi 2S 3 nanocrystals, which provides a new explanation to the longer carrier lifetime and higher efficiency. Lastly, considering the relatively low conduction band and high n-type conductivity, we predict that Cu, Br and Cl doped Bi 2S 3 may be an ideal n-type electron acceptor or counter electrode material, while the performance of Bi 2S 3 as a light-absorber or sensitizer material is intrinsically limited.« less

Processes for producing low cost, high efficiency silicon solar cells

DOEpatents

Rohatgi, Ajeet; Chen, Zhizhang; Doshi, Parag

1996-01-01

Processes which utilize rapid thermal processing (RTP) are provided for inexpensively producing high efficiency silicon solar cells. The RTP processes preserve minority carrier bulk lifetime .tau. and permit selective adjustment of the depth of the diffused regions, including emitter and back surface field (bsf), within the silicon substrate. Silicon solar cell efficiencies of 16.9% have been achieved. In a first RTP process, an RTP step is utilized to simultaneously diffuse phosphorus and aluminum into the front and back surfaces, respectively, of a silicon substrate. Moreover, an in situ controlled cooling procedure preserves the carrier bulk lifetime .tau. and permits selective adjustment of the depth of the diffused regions. In a second RTP process, both simultaneous diffusion of the phosphorus and aluminum as well as annealing of the front and back contacts are accomplished during the RTP step. In a third RTP process, the RTP step accomplishes simultaneous diffusion of the phosphorus and aluminum, annealing of the contacts, and annealing of a double-layer antireflection/passivation coating SiN/SiO.sub.x.

A comprehensive device modelling of perovskite solar cell with inorganic copper iodide as hole transport material

NASA Astrophysics Data System (ADS)

Zulqarnain Haider, Syed; Anwar, Hafeez; Wang, Mingqing

2018-03-01

Hole transport material (HTM) plays an important role in the efficiency and stability of perovskite solar cells (PSCs). Spiro-MeOTAD, the commonly used HTM, is costly and can be easily degraded by heat and moisture, thus offering hindrance to commercialize PSCs. There is dire need to find an alternate inorganic and stable HTM to exploit PSCs with their maximum capability. In this paper, a comprehensive device simulation is used to study various possible parameters that can influence the performance of perovskite solar cell with CuI as HTM. These include the effect of doping density, defect density and thickness of absorber layer, along with the influence of diffusion length of carriers as well as electron affinity of electron transport layer (ETM) and HTM on the performance of PSCs. In addition, hole mobility and doping density of HTM is also investigated. CuI is a p-type inorganic material with low cost and relatively high stability. It is found that concentration of dopant in absorber layer and HTM, the electron affinity of HTM and ETM affect the performance of solar cell minutely, while cell performance improves greatly with the reduction of defect density. Upon optimization of parameters, power conversion efficiency for this device is found to be 21.32%. The result shows that lead-based PSC with CuI as HTM is an efficient system. Enhancing the stability and reduction of defect density are critical factors for future research. These factors can be improved by better fabrication process and proper encapsulation of solar cell.

Ultrafast Optical Microscopy of Single Monolayer Molybdenum Disulfide Flakes

DOE PAGES

Seo, Minah; Yamaguchi, Hisato; Mohite, Aditya D.; ...

2016-02-15

We performed ultrafast optical microscopy on single flakes of atomically thin CVD-grown molybdenum disulfide, using non-degenerate femtosecond pump-probe spectroscopy to excite and probe carriers above and below the indirect and direct band gaps. These measurements reveal the influence of layer thickness on carrier dynamics when probing near the band gap. Furthermore, fluence-dependent measurements indicate that carrier relaxation is primarily influenced by surface-related defect and trap states after above-bandgap photoexcitation. Furthermore, the ability to probe femtosecond carrier dynamics in individual flakes can thus give much insight into light-matter interactions in these two-dimensional nanosystems.

Transport Imaging of Multi-Junction and CIGS Solar Cell Materials

DTIC Science & Technology

2011-12-01

solar cells start with the material charge transport parameters, namely the charge mobility, lifetime and diffusion length . It is the goal of...every solar cell manufacturer to maintain high carrier lifetime so as to realize long diffusion lengths . Long diffusion lengths ensure that the charges...Thus, being able to accurately determine the diffusion length of any solar cell material proves advantageous by providing insights

Defects in ZnO nanorods prepared by a hydrothermal method.

PubMed

Tam, K H; Cheung, C K; Leung, Y H; Djurisić, A B; Ling, C C; Beling, C D; Fung, S; Kwok, W M; Chan, W K; Phillips, D L; Ding, L; Ge, W K

2006-10-26

ZnO nanorod arrays were fabricated using a hydrothermal method. The nanorods were studied by scanning electron microscopy, photoluminescence (PL), time-resolved PL, X-ray photoelectron spectroscopy, and positron annihilation spectroscopy before and after annealing in different environments and at different temperatures. Annealing atmosphere and temperature had significant effects on the PL spectrum, while in all cases the positron diffusion length and PL decay times were increased. We found that, while the defect emission can be significantly reduced by annealing at 200 degrees C, the rods still have large defect concentrations as confirmed by their low positron diffusion length and short PL decay time constants.

Oxygen potentials, oxygen diffusion coefficients and defect equilibria of nonstoichiometric (U,Pu)O2±x

NASA Astrophysics Data System (ADS)

Kato, Masato; Watanabe, Masashi; Matsumoto, Taku; Hirooka, Shun; Akashi, Masatoshi

2017-04-01

Oxygen potential of (U,Pu)O2±x was evaluated based on defect chemistry using an updated experimental data set. The relationship between oxygen partial pressure and deviation x in (U,Pu)O2±x was analyzed, and equilibrium constants of defect formation were determined as functions of Pu content and temperature. Brouwer's diagrams were constructed using the determined equilibrium constants, and a relational equation to determine O/M ratio was derived as functions of O/M ratio, Pu content and temperature. In addition, relationship between oxygen potential and oxygen diffusion coefficients were described.

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2014-11-01

Resolving atomic-scale defect topologies and energetics with accurate atomistic interaction models provides access to the nonlinear phenomena inherent at atomic length and time scales. Coarse graining the dynamics of such simulations to look at the migration of, e.g., solute atoms, while retaining the rich atomic-scale detail required to properly describe defects, is a particular challenge. In this paper, we present an adaptation of the recently developed "diffusive molecular dynamics" model to describe the energetics and kinetics of binary alloys on diffusive time scales. The potential of the technique is illustrated by applying it to the classic problems of solute segregation to a planar boundary (stacking fault) and edge dislocation in the Al-Mg system. Our approach provides fully dynamical solutions in situations with an evolving energy landscape in a computationally efficient way, where atomistic kinetic Monte Carlo simulations are difficult or impractical to perform.

Formation of vacancy-impurity complexes in heavily Zn-doped InP

NASA Astrophysics Data System (ADS)

Slotte, J.; Saarinen, K.; Salmi, A.; Simula, S.; Aavikko, R.; Hautojärvi, P.

2003-03-01

Positron annihilation spectroscopy has been applied to observe the spontaneous formation of vacancy-type defects by annealing of heavily Zn-doped InP at 500 700 K. The defect is identified as the VP-Zn pair by detecting the annihilation of positrons with core electrons. We conclude that the defect is formed through a diffusion process; a phosphorus vacancy migrates until trapped by a Zn impurity and forms a negatively charged VP-Zn pair. The kinetics of the diffusion process is investigated by measuring the average positron lifetime as a function of annealing time and by fitting a diffusion model to the experimental results. We deduce a migration energy of 1.8±0.2 eV for the phosphorus vacancy. Our results explain both the presence of native VP-Zn pairs in Zn-doped InP and their disappearance in post-growth annealings.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perriot, Romain; Dholabhai, Pratik P.; Uberuaga, Blas P.

In this paper, we use molecular dynamics simulations to investigate the role of grain boundaries (GBs) on ionic diffusion in pyrochlores, as a function of the GB type, chemistry of the compound, and level of cation disorder. We observe that the presence of GBs promotes oxygen transport in ordered and low-disordered systems, as the GBs are found to have a higher concentration of mobile carriers with higher mobilities than in the bulk. Thus, in ordered samples, the ionic diffusion is 2D, localized along the grain boundary. When cation disorder is introduced, bulk carriers begin to contribute to the overall diffusion,more » while the GB contribution is only slightly enhanced. In highly disordered samples, the diffusive behavior at the GBs is bulk-like, and the two contributions (bulk vs. GB) can no longer be distinguished. There is thus a transition from 2D/GB dominated oxygen diffusivity to 3D/bulk dominated diffusivity versus disorder in pyrochlores. Finally, these results provide new insights into the possibility of using internal interfaces to enhance ionic conductivity in nanostructured complex oxides.« less

Anomalously Fast Diffusion of Targeted Carbon Nanotubes in Cellular Spheroids.

PubMed

Wang, Yichun; Bahng, Joong Hwan; Che, Quantong; Han, Jishu; Kotov, Nicholas A

2015-08-25

Understanding transport of carbon nanotubes (CNTs) and other nanocarriers within tissues is essential for biomedical imaging and drug delivery using these carriers. Compared to traditional cell cultures in animal studies, three-dimensional tissue replicas approach the complexity of the actual organs and enable high temporal and spatial resolution of the carrier permeation. We investigated diffusional transport of CNTs in highly uniform spheroids of hepatocellular carcinoma and found that apparent diffusion coefficients of CNTs in these tissue replicas are anomalously high and comparable to diffusion rates of similarly charged molecules with molecular weights 10000× lower. Moreover, diffusivity of CNTs in tissues is enhanced after functionalization with transforming growth factor β1. This unexpected trend contradicts predictions of the Stokes-Einstein equation and previously obtained empirical dependences of diffusivity on molecular mass for permeants in gas, liquid, solid or gel. It is attributed to the planar diffusion (gliding) of CNTs along cellular membranes reducing effective dimensionality of diffusional space. These findings indicate that nanotubes and potentially similar nanostructures are capable of fast and deep permeation into the tissue, which is often difficult to realize with anticancer agents.

Polarization induced self-doping in epitaxial Pb(Zr0.20Ti0.80)O3 thin films

PubMed Central

Pintilie, Lucian; Ghica, Corneliu; Teodorescu, Cristian Mihail; Pintilie, Ioana; Chirila, Cristina; Pasuk, Iuliana; Trupina, Lucian; Hrib, Luminita; Boni, Andra Georgia; Georgiana Apostol, Nicoleta; Abramiuc, Laura Elena; Negrea, Raluca; Stefan, Mariana; Ghica, Daniela

2015-01-01

The compensation of the depolarization field in ferroelectric layers requires the presence of a suitable amount of charges able to follow any variation of the ferroelectric polarization. These can be free carriers or charged defects located in the ferroelectric material or free carriers coming from the electrodes. Here we show that a self-doping phenomenon occurs in epitaxial, tetragonal ferroelectric films of Pb(Zr0.2Ti0.8)O3, consisting in generation of point defects (vacancies) acting as donors/acceptors. These are introducing free carriers that partly compensate the depolarization field occurring in the film. It is found that the concentration of the free carriers introduced by self-doping increases with decreasing the thickness of the ferroelectric layer, reaching values of the order of 1026 m−3 for 10 nm thick films. One the other hand, microscopic investigations show that, for thicknesses higher than 50 nm, the 2O/(Ti+Zr+Pb) atomic ratio increases with the thickness of the layers. These results suggest that the ratio between the oxygen and cation vacancies varies with the thickness of the layer in such a way that the net free carrier density is sufficient to efficiently compensate the depolarization field and to preserve the outward direction of the polarization. PMID:26446442

Origin of flatband voltage shift and unusual minority carrier generation in thermally grown GeO2/Ge metal-oxide-semiconductor devices

NASA Astrophysics Data System (ADS)

Hosoi, Takuji; Kutsuki, Katsuhiro; Okamoto, Gaku; Saito, Marina; Shimura, Takayoshi; Watanabe, Heiji

2009-05-01

Improvement in electrical properties of thermally grown GeO2/Ge metal-oxide-semiconductor (MOS) capacitors, such as significantly reduced flatband voltage (VFB) shift, small hysteresis, and minimized minority carrier response in capacitance-voltage (C-V) characteristics, has been demonstrated by in situ low temperature vacuum annealing prior to gate electrode deposition. Thermal desorption analysis has revealed that not only water but also hydrocarbons are easily infiltrated into GeO2 layers during air exposure and desorbed at around 300 °C, indicating that organic molecules within GeO2/Ge MOS structures are possible origins of electrical defects. The inversion capacitance, indicative of minority carrier generation, increases with air exposure time for Au/GeO2/Ge MOS capacitors, while maintaining an interface state density (Dit) of about a few 1011 cm-2 eV-1. Unusual increase in inversion capacitance was found to be suppressed by Al2O3 capping (Au/Al2O3/GeO2/Ge structures). This suggests that electrical defects induced outside the Au electrode by infiltrated molecules may enhance the minority carrier generation, and thus acting as a minority carrier source just like MOS field-effect transistors.

Blood-brain barrier transport of the alpha-keto acid analogs of amino acids.

PubMed

Steele, R D

1986-06-01

A number of alpha-keto acid analogs of amino acids have been found to penetrate the blood-brain barrier (BBB). Pyruvate, alpha-ketobutyrate, alpha-ketoisocaproate, and alpha-keto-gamma-methiolbutyrate all cross the BBB by a carrier-mediated process and by simple diffusion. Under normal physiological conditions, diffusion accounts for roughly 15% or less of total transport. Aromatic alpha-keto acids, phenylpyruvate, and p-hydroxyphenylpyruvate do not penetrate the BBB, nor do they inhibit the transport of other alpha-keto acids. Evidence based primarily on inhibition studies indicates that the carrier-mediated transport of alpha-keto acids occurs via the same carrier demonstrated previously for propionate, acetoacetate, and beta-hydroxybutyrate transport, commonly referred to as the monocarboxylate carrier. As a group, the alpha-keto acid analogs of the amino acids have the highest affinity for the carrier, followed by propionate and beta-hydroxybutyrate. Starvation for 4 days induces transport of alpha-keto acids, but transport is suppressed in rats fed commercial laboratory rations and subjected to portacaval shunts. The mitochondrial pyruvate translocator inhibitor alpha-cyanocinnamate has no effect on the BBB transport of alpha-keto acids.

Electrical and optical characterization of surface passivation in GaAs nanowires.

PubMed

Chang, Chia-Chi; Chi, Chun-Yung; Yao, Maoqing; Huang, Ningfeng; Chen, Chun-Chung; Theiss, Jesse; Bushmaker, Adam W; Lalumondiere, Stephen; Yeh, Ting-Wei; Povinelli, Michelle L; Zhou, Chongwu; Dapkus, P Daniel; Cronin, Stephen B

2012-09-12

We report a systematic study of carrier dynamics in Al(x)Ga(1-x)As-passivated GaAs nanowires. With passivation, the minority carrier diffusion length (L(diff)) increases from 30 to 180 nm, as measured by electron beam induced current (EBIC) mapping, and the photoluminescence (PL) lifetime increases from sub-60 ps to 1.3 ns. A 48-fold enhancement in the continuous-wave PL intensity is observed on the same individual nanowire with and without the Al(x)Ga(1-x)As passivation layer, indicating a significant reduction in surface recombination. These results indicate that, in passivated nanowires, the minority carrier lifetime is not limited by twin stacking faults. From the PL lifetime and minority carrier diffusion length, we estimate the surface recombination velocity (SRV) to range from 1.7 × 10(3) to 1.1 × 10(4) cm·s(-1), and the minority carrier mobility μ is estimated to lie in the range from 10.3 to 67.5 cm(2) V(-1) s(-1) for the passivated nanowires.

Reduction in number of crystal defects in a p+Si diffusion layer by germanium and boron cryogenic implantation combined with sub-melt laser spike annealing

NASA Astrophysics Data System (ADS)

Murakoshi, Atsushi; Harada, Tsubasa; Miyano, Kiyotaka; Harakawa, Hideaki; Aoyama, Tomonori; Yamashita, Hirofumi; Kohyama, Yusuke

2017-09-01

To reduce the number of crystal defects in a p+Si diffusion layer by a low-thermal-budget annealing process, we have examined crystal recovery in the amorphous layer formed by the cryogenic implantation of germanium and boron combined with sub-melt laser spike annealing (LSA). The cryogenic implantation at -150 °C is very effective in suppressing vacancy clustering, which is advantageous for rapid crystal recovery during annealing. The crystallinity after LSA is shown to be very high and comparable to that after rapid thermal annealing (RTA) owing to the cryogenic implantation, although LSA is a low-thermal-budget annealing process that can suppress boron diffusion effectively. It is also shown that in the p+Si diffusion layer, there is high contact resistance due to the incomplete formation of a metal silicide contact, which originates from insufficient outdiffusion of surface contaminants such as fluorine. To widely utilize the marked reduction in the number of crystal defects, sufficient removal of surface contaminants will be required in the low-thermal-budget process.

Electrical characterization of fluorinated benzothiadiazole based conjugated copolymer - a promising material for high-performance solar cells

NASA Astrophysics Data System (ADS)

Toušek, J.; Toušková, J.; Remeš, Z.; Chomutová, R.; Čermák, J.; Helgesen, M.; Carlé, J. E.; Krebs, F. C.

2015-12-01

Measurements of electrical conductivity, electron work function, carrier mobility of holes and the diffusion length of excitons were performed on samples of conjugated polymers relevant to polymer solar cells. A state of the art fluorinated benzothiadiazole based conjugated copolymer (PBDTTHD - DTBTff) was studied and benchmarked against the reference polymer poly-3-hexylthiophene (P3HT). We employed, respectively, four electrode conductivity measurements, Kelvin probe work function measurements, carrier mobility using charge extraction by linearly increasing voltage (CELIV) measurements and diffusion length determinaton using surface photovoltage measurements.

Carrier characteristics influence the kinetics of passive drug loading into lipid nanoemulsions.

PubMed

Göke, Katrin; Bunjes, Heike

2018-05-01

Passive loading as a novel screening approach is a material-saving tool for the efficient selection of a suitable colloidal lipid carrier system for poorly water soluble drug candidates. This method comprises incubation of preformed carrier systems with drug powder and subsequent determination of the resulting drug load of the carrier particles after removal of excess drug. For reliable routine use and to obtain meaningful loading results, information on the kinetics of the process is required. Passive loading proceeds via a dissolution-diffusion-based mechanism, where drug surface area and drug water solubility are key parameters for fast passive loading. While the influence of the drug characteristics is mostly understood, the influence of the carrier characteristics remains unknown. The aim of this study was to examine how the lipid nanocarriers' characteristics, i.e. the type of lipid, the lipid content and the particle size, influence the kinetics of passive loading. Fenofibrate was used as model drug and the loading progress was analyzed by UV spectroscopy. The saturation solubility in the nanocarrier particles, i.e. the lipid type, did not influence the passive loading rate constant. Low lipid content in the nanocarrier and a small nanocarrier particle size both increased passive loading speed. Both variations increase the diffusivity of the nanocarrier particles, which is the primary cause for fast loading at these conditions: The quicker the carrier particles diffuse, the higher is the speed of passive loading. The influence of the diffusivity of the lipid nanocarriers and the effect of drug dissolution rate were included in an overall mechanistic model developed for similar processes (A. Balakrishnan, B.D. Rege, G.L. Amidon, J.E. Polli, Surfactant-mediated dissolution: contributions of solubility enhancement and relatively low micelle diffusivity, J. Pharm. Sci. 93 (2004) 2064-2075). The resulting mechanistic model gave a good estimate of the speed of passive loading in nanoemulsions. Whilst the drug's characteristics - apart from drug surface area - are basically fixed, the lipid nanocarriers can be customized to improve passive loading speed, e.g. by using small nanocarrier particles. The knowledge of the loading mechanism now allows the use of passive loading for the straightforward, material-saving selection of suitable lipid drug nanocarriers. Copyright © 2017 Elsevier B.V. All rights reserved.

First Principles Study for Proton Transport and Diffusion Behavior in Hydrous Hexagonal WO3

NASA Astrophysics Data System (ADS)

Liu, Chi-Ping; Zhou, Fei; Ozolins, Vidvuds; QPAM Team

2013-03-01

Proton transport is of great importance in biological species and energy storage and conversion systems. Previous studies have shown fast proton conduction in liquids and polymers but seldom in inorganic materials. In this work, first principles density functional theory (DFT) reveals that the formation of hydronium and water chains inside the hexagonal channels plays the key roles for the anomalously fast proton transport, by following modified Grotthuss mechanism. Our DFT study shows the detailed microscopic proton diffusion mechanism along the channel in hydrous WO3 with 50% water composition, which is proper for water chain formation. The water chain in the channel serves as a possible diffusion media for hydronium (H3O +) . With the continuous formation and cleavage of hydrogen bonds in the channel, the hydronium diffuses by hydrogen bonds exchange between water molecules. This mechanism is very similar with Grotthuss relay mechanism for proton transport in liquid. The possible proton diffusion were studied for hydronium is either far away from the water chain bond defect or next to H2O defect at the end of water chain. The diffusion barriers for both conditions are around 150 meV to 200 meV, and water defects reorganization in the chain is the rate-limited step for proton diffusion. These small diffusion barriers could explain the fast 1-D proton transport in hydrous WO3 channel. Further studies about fast proton transport in other inorganic materials could be an important topic in not only biochemistry but also clean energy applications like fuel cell applications.

Defect chemistry and lithium transport in Li3OCl anti-perovskite superionic conductors.

PubMed

Lu, Ziheng; Chen, Chi; Baiyee, Zarah Medina; Chen, Xin; Niu, Chunming; Ciucci, Francesco

2015-12-28

Lithium-rich anti-perovskites (LiRAPs) are a promising family of solid electrolytes, which exhibit ionic conductivities above 10(-3) S cm(-1) at room temperature, among the highest reported values to date. In this work, we investigate the defect chemistry and the associated lithium transport in Li3OCl, a prototypical LiRAP, using ab initio density functional theory (DFT) calculations and classical molecular dynamics (MD) simulations. We studied three types of charge neutral defect pairs, namely the LiCl Schottky pair, the Li2O Schottky pair, and the Li interstitial with a substitutional defect of O on the Cl site. Among them the LiCl Schottky pair has the lowest binding energy and is the most energetically favorable for diffusion as computed by DFT. This is confirmed by classical MD simulations, where the computed Li ion diffusion coefficients for LiCl Schottky systems are significantly higher than those for the other two defects considered and the activation energy in LiCl deficient Li3OCl is comparable to experimental values. The high conductivities and low activation energies of LiCl Schottky systems are explained by the low energy pathways of Li between the Cl vacancies. We propose that Li vacancy hopping is the main diffusion mechanism in highly conductive Li3OCl.

Diffusion engineering of ions and charge carriers for stable efficient perovskite solar cells

NASA Astrophysics Data System (ADS)

Bi, Enbing; Chen, Han; Xie, Fengxian; Wu, Yongzhen; Chen, Wei; Su, Yanjie; Islam, Ashraful; Grätzel, Michael; Yang, Xudong; Han, Liyuan

2017-06-01

Long-term stability is crucial for the future application of perovskite solar cells, a promising low-cost photovoltaic technology that has rapidly advanced in the recent years. Here, we designed a nanostructured carbon layer to suppress the diffusion of ions/molecules within perovskite solar cells, an important degradation process in the device. Furthermore, this nanocarbon layer benefited the diffusion of electron charge carriers to enable a high-energy conversion efficiency. Finally, the efficiency on a perovskite solar cell with an aperture area of 1.02 cm2, after a thermal aging test at 85 °C for over 500 h, or light soaking for 1,000 h, was stable of over 15% during the entire test. The present diffusion engineering of ions/molecules and photo generated charges paves a way to realizing long-term stable and highly efficient perovskite solar cells.

Photoflash thermal diffusivity measurement of carbon nanotube-filled PVDF composite at low temperature

NASA Astrophysics Data System (ADS)

Moksin, M. M.; Haydari, M.; Husin, M. S.; Yahya, N.; Azmi, B. Z.

2013-09-01

The suitability of a simple photoflash technique was further examined in the measurement of thermal diffusivity of nanotube-filled polyvinylidene difluoride (PVDF) film composites at low temperature. The effect of temperature and carbon nanotube (CNT) composition in PVDF composite on its thermal diffusivity is presented as equivalent to the effect of changing thermal phonon mean free path. It is done by assuming no other thermal carrier effects other than from phonons detected during measurement by using photoflash technique. The results show that thermal diffusivity of CNT-filled PVDF film composites was found to have consistently increased with increasing the CNT concentration or decreasing temperature, as in the case of insulators with dominant phonon thermal carriers. At any particular temperature, a dramatic increase in thermal diffusivity was noticed at the beginning as the CNT concentration was systematically increased up to a 1% turning point, from which the thermal diffusivity increased further at a much smaller rate with the CNT addition up to 10%. The thermal diffusivity of the samples was in the range of about (10-35) × 10- 8 m2/s depending on the temperature and the CNT concentration of the composites.

Defect engineering of two-dimensional WO3 nanosheets for enhanced electrochromism and photoeletrochemical performance

NASA Astrophysics Data System (ADS)

Zhou, Xiaofang; Zheng, Xiaoli; Yan, Bo; Xu, Tao; Xu, Qun

2017-04-01

The capability of introduction of oxygen vacancies in a controlled way has emerged as the heart of modern transition metal oxide semiconductor chemistry. As chemical defects, the oxygen vacancies have been proposed as electron donors, which are prone to increase carrier density and promote charge carrier separation. Herein, we have successfully prepared 2D WO3 ultrathin nanosheets with abundant surface oxygen vacancies by a combination of facile solvothermal reaction and hydrogenation method. The resultant hydrogenated WO3 ultrathin nanosheets exhibit remarkable electrochromism and photocatalytic performances compared with the non-hydrogenated samples, mainly due to their increased oxygen vacancies, narrowed band gap coupled with fast charge transfer and enhanced adsorption of visible light.

Electron and proton transfer in chloroplasts in silico. 2: The effect of diffusion limitations on the process of photosynthesis in spatially inhomogeneous thylakoids

NASA Astrophysics Data System (ADS)

Vershubskii, A. V.; Tikhonov, A. N.

2017-07-01

The lateral mobility of protons and mobile electron carriers (plastoquinone and plastocyanin) is subjected to diffusion limitations; the effect of these limitations on the kinetics of photoinduced pH i changes has been investigated in the present work for metabolic states 3 (conditions of intensive ATP synthesis) and 4 (the state of photosynthetic control). Computer simulations were based on a mathematical model of electron and proton transport in chloroplasts developed earlier by the authors. Non-uniform distribution of electron carriers and ATP synthase complexes in the membranes of grana and intergranal thylakoids was taken into account in the model. The kinetics of intrathylakoid pH i changes and the lateral profiles of distribution of the mobile electron transporters in granal and intergranal thylakoids were studied. The formation of non-uniform pH i profiles (with lumen acidification in the central parts of the grana being substantially slower than in the stromal thylakoids) was shown to occur under the conditions of ATP synthesis. Variation of the diffusion coefficients of intrathylakoid hydrogen ions and mobile electron carriers (plastoquinone and plastocyanin) can have substantial effects on the lateral pH i profiles and the redox state of the mobile electron carriers.

Dust evolution, a global view: II. Top-down branching, nanoparticle fragmentation and the mystery of the diffuse interstellar band carriers

PubMed Central

2016-01-01

The origin of the diffuse interstellar bands (DIBs), one of the longest-standing mysteries of the interstellar medium (ISM), is explored within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS). The likely nature of the DIB carriers and their evolution is here explored within the framework of the structures and sub-structures inherent to doped hydrogenated amorphous carbon grains in the ISM. Based on the natural aromatic-rich moieties (asphaltenes) recovered from coal and oil, the likely structure of their interstellar analogues is investigated within the context of the diffuse band problem. It is here proposed that the top-down evolution of interstellar carbonaceous grains, and, in particular, a-C(:H) nanoparticles, is at the heart of the formation and evolution of the DIB carriers and their associations with small molecules and radicals, such as C2, C3, CH and CN. It is most probable that the DIBs are carried by dehydrogenated, ionized, hetero-cyclic, olefinic and aromatic-rich moieties that form an integral part of the contiguous structure of hetero-atom-doped hydrogenated amorphous carbon nanoparticles and their daughter fragmentation products. Within this framework, it is proposed that polyene structures in all their variants could be viable DIB carrier candidates. PMID:28083089

Dust evolution, a global view: II. Top-down branching, nanoparticle fragmentation and the mystery of the diffuse interstellar band carriers

NASA Astrophysics Data System (ADS)

Jones, A. P.

2016-12-01

The origin of the diffuse interstellar bands (DIBs), one of the longest-standing mysteries of the interstellar medium (ISM), is explored within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS). The likely nature of the DIB carriers and their evolution is here explored within the framework of the structures and sub-structures inherent to doped hydrogenated amorphous carbon grains in the ISM. Based on the natural aromatic-rich moieties (asphaltenes) recovered from coal and oil, the likely structure of their interstellar analogues is investigated within the context of the diffuse band problem. It is here proposed that the top-down evolution of interstellar carbonaceous grains, and, in particular, a-C(:H) nanoparticles, is at the heart of the formation and evolution of the DIB carriers and their associations with small molecules and radicals, such as C2, C3, CH and CN. It is most probable that the DIBs are carried by dehydrogenated, ionized, hetero-cyclic, olefinic and aromatic-rich moieties that form an integral part of the contiguous structure of hetero-atom-doped hydrogenated amorphous carbon nanoparticles and their daughter fragmentation products. Within this framework, it is proposed that polyene structures in all their variants could be viable DIB carrier candidates.

The Diffuse Interstellar Bands: Solving a Century Old Problem

NASA Technical Reports Server (NTRS)

Salama, Farid

2017-01-01

The Diffuse Interstellar Bands (DIBs) are a set of apporoximately 500 absorption bands that are seen in the spectra of reddened stars (i.e., stars obscured by the presence of interstellar clouds in their line of sight). The first DIBs were detected in the visible over a century ago. Diffuse Interstellar Bands are now detected from the near ultraviolet to the near infrared in the spectra of reddened stars spanning a variety of interstellar environments in our local, and in other galaxies. Although DIB carriers are a significant part of the interstellar chemical inventory as they account for a noticeable fraction of the interstellar extinction, the nature of their carriers is still unknown over a century after the detection of the first bands. DIB carriers are stable and ubiquitous in a broad variety of interstellar environments and play a unique role in interstellar physics and chemistry. It has long been realized that the solving of the DIB problem requires a strong synergy between astronomical observations, laboratory astrophysics and astrochemistry, quantum chemistry calculations and astrophysical modeling of line-of-sights. In this review, we'll present and discuss the current state of this perplexing problem. We'll review the progress and the failures that have been encountered in the long quest for the identification of the carriers of these ubiquitous interstellar bands.

Vacancy defect and defect cluster energetics in ion-implanted ZnO

NASA Astrophysics Data System (ADS)

Dong, Yufeng; Tuomisto, F.; Svensson, B. G.; Kuznetsov, A. Yu.; Brillson, Leonard J.

2010-02-01

We have used depth-resolved cathodoluminescence, positron annihilation, and surface photovoltage spectroscopies to determine the energy levels of Zn vacancies and vacancy clusters in bulk ZnO crystals. Doppler broadening-measured transformation of Zn vacancies to vacancy clusters with annealing shifts defect energies significantly lower in the ZnO band gap. Zn and corresponding O vacancy-related depth distributions provide a consistent explanation of depth-dependent resistivity and carrier-concentration changes induced by ion implantation.

Constraints on oxygen fugacity within metal capsules

NASA Astrophysics Data System (ADS)

Faul, Ulrich H.; Cline, Christopher J., II; Berry, Andrew; Jackson, Ian; Garapić, Gordana

2018-06-01

Experiments were conducted with olivine encapsulated or wrapped in five different metals (Pt, Ni, Ni_{70}Fe_{30}, Fe, and Re) to determine the oxygen fugacity in the interior of large capsules used for deformation and seismic property experiments. Temperature (1200°C), pressure (300 MPa), and duration (24 h) were chosen to represent the most common conditions in these experiments. The oxygen fugacity was determined by analysing the Fe content of initially pure Pt particles that were mixed with the olivine powder prior to the experiments. Oxygen fugacities in the more oxidizing metal containers are substantially below their respective metal-oxide buffers, with the fO_2 of sol-gel olivine in Ni about 2.5 orders of magnitude below Ni-NiO. Analysis of olivine and metal blebs reveals three different length-, and hence diffusive time scales: (1) Fe loss to the capsule over ˜ 100 μ m, (2) fO_2 gradients at the sample-capsule interface up to 2 mm into the sample, and (3) constant interior fO_2 values with an ordering corresponding to the capsule material. The inferred diffusive processes are: Fe diffusion in olivine with a diffusivity ˜ 10^{-14} m^2/s, diffusion possibly of oxygen along grain boundaries with a diffusivity ˜ 10^{-12} m^2/s, and diffusion possibly involving pre-existing defects with a diffusivity ˜ 10^{-10} m^2/s. The latter, fast adjustment to changing fO_2 may consist of a rearrangement of pre-existing defects, representing a metastable equilibrium, analogous to decoration of pre-existing defects by hydrogen. Full adjustment to the external fO_2 requires atomic diffusion.

Defect chemistry and characterization of Hg sub 1x Cd sub x Te

NASA Technical Reports Server (NTRS)

Vydyanath, H. R.

1982-01-01

Single crystal samples of undoped and doped Hg sub 1-x Cd sub x Te were annealed at varying temperatures and partial pressures of Hg. Hall effect and mobility measurements were carried out on these samples after quenching to room temperature. Based on the variation of the carrier concentration and the carrier mobility as a function of the partial pressure of Hg temperature, and dopant concentration, defect models were established for the doped and the undoped crystals. These models indicate that the native acceptor defects in both Hg0.8Cd0.2Te and Hg0.6Cd0.4Te doubly ionized and the native donor defects are negligible in concentration, implying that p to n conversion in these alloys occurs due only to residual donors. Incorporation mechanism of copper, indium, iodine, and phosphorus were investigated. A large concentration of indium is found to be paired with the native acceptor defects. Results on crystals doped with phosphorus indicate that phosphorus behaves amphoterically, acting as a donor on Hg lattice sites and as an acceptor intersitially on Te lattice sites. A majority of the phosphorus is found to be present as neutral species formed from the pairing reaction between phosphorus on Hg lattice sites and phosphorus in interstitial sites. Equilibrium constants for the intrinsic excitation reaction, as well as for the incorporation of the different dopants and the native acceptor defects were established.

Diffusion barriers

NASA Technical Reports Server (NTRS)

Nicolet, M. A.

1983-01-01

The choice of the metallic film for the contact to a semiconductor device is discussed. One way to try to stabilize a contact is by interposing a thin film of a material that has low diffusivity for the atoms in question. This thin film application is known as a diffusion barrier. Three types of barriers can be distinguished. The stuffed barrier derives its low atomic diffusivity to impurities that concentrate along the extended defects of a polycrystalline layer. Sacrificial barriers exploit the fact that some (elemental) thin films react in a laterally uniform and reproducible fashion. Sacrificial barriers have the advantage that the point of their failure is predictable. Passive barriers are those most closely approximating an ideal barrier. The most-studied case is that of sputtered TiN films. Stuffed barriers may be viewed as passive barriers whose low diffusivity material extends along the defects of the polycrystalline host.

A novel method for computing effective diffusivity: Application to helium implanted α-Fe thin films

NASA Astrophysics Data System (ADS)

Dunn, Aaron; Agudo-Merida, Laura; Martin-Bragado, Ignacio; McPhie, Mathieu; Cherkaoui, Mohammed; Capolungo, Laurent

2014-05-01

The effective diffusivity of helium in thin iron films is quantified using spatially resolved stochastic cluster dynamics and object kinetic Monte Carlo simulations. The roles of total displacement dose (in DPA), damage rate, helium to DPA ratio, layer thickness, and damage type (cascade damage vs Frenkel pair implantation) on effective He diffusivity are investigated. Helium diffusivity is found to decrease with increasing total damage and decreasing damage rate. Arrhenius plots show strongly increased helium diffusivity at high temperatures, high total implantation, and low implantation rates due to decreased vacancy and vacancy cluster concentrations. At low temperatures, effective diffusivity is weakly dependent on foil thickness while at high temperatures, narrower foils prevent defect accumulation by releasing all defects at the free surfaces. Helium to DPA ratio is not shown to strongly change helium diffusivity in the range of irradiation conditions simulated. Frenkel pair implantation is shown to cause higher effective diffusivity and more complex diffusion mechanisms than cascade implantation. The results of these simulations indicate that the differences in damage rates between implantation experiments and fission or fusion environments may result in differences in the final microstructure.

Modulation on brain gray matter activity and white matter integrity by APOE ε4 risk gene in cognitively intact elderly: A multimodal neuroimaging study.

PubMed

Cai, Suping; Jiang, Yuanyuan; Wang, Yubo; Wu, Xiaoming; Ren, Junchan; Lee, Min Seob; Lee, Sunghoon; Huang, Liyu

2017-03-30

Apolipoprotein E (APOE) ε4 allele is the genetic risk factor with the most established evidence for sporadic Alzheimer's disease. Previous neuroimaging studies have demonstrated insufficiently consistent functional and structural changes among healthy APOE ε4 carriers when compared to non-carriers. Here, in a cognitively intact elderly group (a total of 110: 45 APOE ε4 carriers, 65 non-carriers), we aimed to investigate the potential role of APOE ε4 in the modulation of grey matter activity, white matter integrity, and brain morphology before the development of clinically significant symptoms and signs, by methods of: amplitude of low frequency fluctuations and regional homogeneity analysis based on resting state fMRI, and fiber tractography approach based on diffusion tensor imaging. Our results revealed that compared to non-carriers, APOE ε4 carriers showed: (1) an inconsistent pattern of activity change in the default mode network, including increased gray matter activity in anterior cingulate cortex and medial prefrontal cortex and decreased activity in precuneus; (2) lower mean diffusivity (MD) in fibers of corona radiata and corpus callosum, and lower axial diffusivity in genu of corpus callosum; and (3) significant positive correlation between the MD value of the right superior corona radiate and gross white matter volume; significant negative correlation between the MD value of the right superior corona radiate and Mini-Mental State Examination (MMSE) score. Our results suggested that APOE ε4 gene can modulate gray matter activity and white matter integrity in cognitive and memory related regions, even before any clinical or neuropsychic symtoms or signs of imminent disease. Copyright © 2017 Elsevier B.V. All rights reserved.

Formation and Migration Energies of Interstitials in Silicon Under Strain Conditions

NASA Technical Reports Server (NTRS)

Halicioglu, Timur; Barnett, David M.

1999-01-01

Simulation calculations are conducted for Si substrates to analyze formation and diffusion energies of interstitials under strain condition using statics methods .based on a Stillinger-Weber type potential function. Defects in the vicinity of the surface region and in the bulk are examined, and the role played by compressive and tensile strains on the energetics of interstitials is investigated. Results indicate that strain alters defect energetics which, in turn, modifies their diffusion characteristics.

Background-Error Correlation Model Based on the Implicit Solution of a Diffusion Equation

DTIC Science & Technology

2010-01-01

1 Background- Error Correlation Model Based on the Implicit Solution of a Diffusion Equation Matthew J. Carrier* and Hans Ngodock...4. TITLE AND SUBTITLE Background- Error Correlation Model Based on the Implicit Solution of a Diffusion Equation 5a. CONTRACT NUMBER 5b. GRANT...2001), which sought to model error correlations based on the explicit solution of a generalized diffusion equation. The implicit solution is

Room temperature spin diffusion in (110) GaAs/AlGaAs quantum wells

PubMed Central

2011-01-01

Transient spin grating experiments are used to investigate the electron spin diffusion in intrinsic (110) GaAs/AlGaAs multiple quantum well at room temperature. The measured spin diffusion length of optically excited electrons is about 4 μm at low spin density. Increasing the carrier density yields both a decrease of the spin relaxation time and the spin diffusion coefficient Ds. PMID:21711662

Ceramic Biocomposites as Biodegradable Antibiotic Carriers in the Treatment of Bone Infections

PubMed Central

Ferguson, Jamie; Diefenbeck, Michael; McNally, Martin

2017-01-01

Local release of antibiotic has advantages in the treatment of chronic osteomyelitis and infected fractures. The adequacy of surgical debridement is still key to successful clearance of infection but local antibiotic carriers seem to afford greater success rates by targeting the residual organisms present after debridement and delivering much higher local antibiotic concentrations compared with systemic antibiotics alone. Biodegradable ceramic carriers can be used to fill osseous defects, which reduces the dead space and provides the potential for subsequent repair of the osseous defect as they dissolve away. A dissolving ceramic antibiotic carrier also raises the possibility of single stage surgery with definitive closure and avoids the need for subsequent surgery for spacer removal. In this article we provide an overview of the properties of various biodegradable ceramics, including calcium sulphate, the calcium orthophosphate ceramics, calcium phosphate cement and polyphasic carriers. We summarise the antibiotic elution properties as investigated in previous animal studies as well as the clinical outcomes from clinical research investigating their use in the surgical management of chronic osteomyelitis. Calcium sulphate pellets have been shown to be effective in treating local infection, although newer polyphasic carriers may support greater osseous repair and reduce the risk of further fracture or the need for secondary reconstructive surgery. The use of ceramic biocomposites to deliver antibiotics together with BMPs, bisphosphonates, growth factors or living cells is under investigation and merits further study. We propose a treatment protocol, based on the Cierny-Mader classification, to help guide the appropriate selection of a suitable ceramic antibiotic carrier in the surgical treatment of chronic osteomyelitis. PMID:28529863

Divacancy complexes induced by Cu diffusion in Zn-doped GaAs

NASA Astrophysics Data System (ADS)

Elsayed, M.; Krause-Rehberg, R.; Korff, B.; Ratschinski, I.; Leipner, H. S.

2013-08-01

Positron annihilation spectroscopy was applied to investigate the nature and thermal behavior of defects induced by Cu diffusion in Zn-doped p-type GaAs crystals. Cu atoms were intentionally introduced in the GaAs lattice through thermally activated diffusion from a thin Cu capping layer at 1100 °C under defined arsenic vapor pressure. During isochronal annealing of the obtained Cu-diffused GaAs in the temperature range of 450-850 K, vacancy clusters were found to form, grow and finally disappear. We found that annealing at 650 K triggers the formation of divacancies, whereas further increasing in the annealing temperature up to 750 K leads to the formation of divacancy-copper complexes. The observations suggest that the formation of these vacancy-like defects in GaAs is related to the out-diffusion of Cu. Two kinds of acceptors are detected with a concentration of about 1016 - 1017 cm-3, negative ions and arsenic vacancy copper complexes. Transmission electron microscopy showed the presence of voids and Cu precipitates which are not observed by positron measurements. The positron binding energy to shallow traps is estimated using the positron trapping model. Coincidence Doppler broadening spectroscopy showed the presence of Cu in the immediate vicinity of the detected vacancies. Theoretical calculations suggested that the detected defect is VGaVAs-2CuGa.

Theoretical analysis of nBn infrared photodetectors

NASA Astrophysics Data System (ADS)

Ting, David Z.; Soibel, Alexander; Khoshakhlagh, Arezou; Gunapala, Sarath D.

2017-09-01

The depletion and surface leakage dark current suppression properties of unipolar barrier device architectures such as the nBn have been highly beneficial for III-V semiconductor-based infrared detectors. Using a one-dimensional drift-diffusion model, we theoretically examine the effects of contact doping, minority carrier lifetime, and absorber doping on the dark current characteristics of nBn detectors to explore some basic aspects of their operation. We found that in a properly designed nBn detector with highly doped excluding contacts the minority carriers are extracted to nonequilibrium levels under reverse bias in the same manner as the high operating temperature (HOT) detector structure. Longer absorber Shockley-Read-Hall (SRH) lifetimes result in lower diffusion and depletion dark currents. Higher absorber doping can also lead to lower diffusion and depletion dark currents, but the benefit should be weighted against the possibility of reduced diffusion length due to shortened SRH lifetime. We also briefly examined nBn structures with unintended minority carrier blocking barriers due to excessive n-doping in the unipolar electron barrier, or due to a positive valence band offset between the barrier and the absorber. Both types of hole blocking structures lead to higher turn-on bias, although barrier n-doping could help suppress depletion dark current.

Effects of high optical injection levels in polycrystalline Si wafers on carrier transport

NASA Astrophysics Data System (ADS)

Steele, Doneisha; Semichaevsky, Andrey

High levels of carrier injection in polycrystalline Si may arise, for example, in solar cells under concentrated sunlight. Mechanisms for non-radiative carrier recombination include trap-mediated SRH and higher-order processes, e.g., Auger recombination. In this paper we present our experimental results for intensity-dependent carrier lifetimes and conduction currents in polycrystalline Si wafers illuminated with pulses of up to 50 Sun intensity. We also use a computational model for carrier transport that includes both SRH and Auger recombination mechanisms, in order to explain our experiments. The model allows quantifying recombination rate dependence on carrier concentration. Our goal is to relate the recombination rates to Si microstructure and defect densities that are revealed by IR PL images. We acknowledge the NSF support through Grant 1505377.

Optical patterning of trapped charge in nitrogen-doped diamond

NASA Astrophysics Data System (ADS)

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B.; Albu, Remus; Doherty, Marcus W.; Meriles, Carlos A.

2016-08-01

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories.

Three-dimensional cathodoluminescence characterization of a semipolar GaInN based LED sample

NASA Astrophysics Data System (ADS)

Hocker, Matthias; Maier, Pascal; Tischer, Ingo; Meisch, Tobias; Caliebe, Marian; Scholz, Ferdinand; Mundszinger, Manuel; Kaiser, Ute; Thonke, Klaus

2017-02-01

A semipolar GaInN based light-emitting diode (LED) sample is investigated by three-dimensionally resolved cathodoluminescence (CL) mapping. Similar to conventional depth-resolved CL spectroscopy (DRCLS), the spatial resolution perpendicular to the sample surface is obtained by calibration of the CL data with Monte-Carlo-simulations (MCSs) of the primary electron beam scattering. In addition to conventional MCSs, we take into account semiconductor-specific processes like exciton diffusion and the influence of the band gap energy. With this method, the structure of the LED sample under investigation can be analyzed without additional sample preparation, like cleaving of cross sections. The measurement yields the thickness of the p-type GaN layer, the vertical position of the quantum wells, and a defect analysis of the underlying n-type GaN, including the determination of the free charge carrier density. The layer arrangement reconstructed from the DRCLS data is in good agreement with the nominal parameters defined by the growth conditions.

Optical patterning of trapped charge in nitrogen-doped diamond.

PubMed

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B; Albu, Remus; Doherty, Marcus W; Meriles, Carlos A

2016-08-30

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories.

Optical patterning of trapped charge in nitrogen-doped diamond

PubMed Central

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B.; Albu, Remus; Doherty, Marcus W.; Meriles, Carlos A.

2016-01-01

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories. PMID:27573190

Continuous delivery of rhBMP2 and rhVEGF165 at a certain ratio enhances bone formation in mandibular defects over the delivery of rhBMP2 alone--An experimental study in rats.

PubMed

Lohse, N; Moser, N; Backhaus, S; Annen, T; Epple, M; Schliephake, H

2015-12-28

The aim of the present study was to test the hypothesis that different amounts of vascular endothelial growth factor and bone morphogenic protein differentially affect bone formation when applied for repair of non-healing defects in the rat mandible. Porous composite PDLLA/CaCO3 carriers were fabricated as slow release carriers and loaded with rhBMP2 and rhVEGF165 in 10 different dosage combinations using gas foaming with supercritical carbon dioxide. They were implanted in non-healing defects of the mandibles of 132 adult Wistar rats with additional lateral augmentation. Bone formation was assessed both radiographically (bone volume) and by histomorphometry (bone density). The use of carriers with a ratio of delivery of VEGF/BMP between 0.7 and 1.2 was significantly related to the occurrence of significant increases in radiographic bone volume and/or histologic bone density compared to the use of carriers with a ratio of delivery of ≤ 0.5 when all intervals and all outcome parameters were considered. Moreover, simultaneous delivery at this ratio helped to "save" rhBMP2 as both bone volume and bone density after 13 weeks were reached/surpassed using half the dosage required for rhBMP2 alone. It is concluded, that the combined delivery of rhVEGF165 and rhBMP2 for repair of critical size mandibular defects can significantly enhance volume and density of bone formation over delivery of rhBMP2 alone. It appears from the present results that continuous simultaneous delivery of rhVEGF165 and rhBMP2 at a ratio of approximately 1 is favourable for the enhancement of bone formation. Copyright © 2015. Published by Elsevier B.V.

Self-diffusion in MgO--a density functional study.

PubMed

Runevall, Odd; Sandberg, Nils

2011-08-31

Density functional theory calculations have been performed to study self-diffusion in magnesium oxide, a model material for a wide range of ionic compounds. Formation energies and entropies of Schottky defects and divacancies were obtained by means of total energy and phonon calculations in supercell configurations. Transition state theory was used to estimate defect migration rates, with migration energies taken from static calculations, and the corresponding frequency factors estimated from the phonon spectrum. In all static calculations we corrected for image effects using either a multipole expansion or an extrapolation to the low concentration limit. It is shown that both methods give similar results. The results for self-diffusion of Mg and O confirm the previously established picture, namely that in materials of nominal purity, Mg diffuses extrinsically by a single vacancy mechanism, while O diffuses intrinsically by a divacancy mechanism. Quantitatively, the current results are in very good agreement with experiments concerning O diffusion, while for Mg the absolute diffusion rate is generally underestimated by a factor of 5-10. The reason for this discrepancy is discussed.

Method and apparatus for determining minority carrier diffusion length in semiconductors

DOEpatents

Moore, Arnold R.

1984-01-01

Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon which has a significantly small minority carrier diffusion length using the constant magnitude surface-photovoltage (SPV) method. Steady or modulated illumination at several wavelengths provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV for each wavelength. A drop of a transparent electrolyte solution containing redox couples (preferably quinhydrone) having an oxidation-reduction potential (E) in the order of +0.6 to -1.65 volts couples the SPV to a measurement system. The drop of redox couple solution functions to create a liquid Schottky barrier at the surface of the material. Illumination light is passed through a transparent rod supported over the surface and through the drop of transparent electrolyte. The drop is held in the gap between the rod and the surface. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoddard, Ryan J.; Eickemeyer, Felix T.; Katahara, John K.

High-bandgap mixed-halide hybrid perovskites have higher open-circuit voltage deficits and lower carrier diffusion lengths than their lower-bandgap counterparts. We have developed a ligand-assisted crystallization (LAC) technique that introduces additives in situ during the solvent wash and developed a new method to dynamically measure the absolute intensity steady-state photoluminescence and the mean carrier diffusion length simultaneously. The measurements reveal four distinct regimes of material changes and show that photoluminescence brightening often coincides with losses in carrier transport, such as in degradation or phase segregation. Further, the measurements enabled optimization of LAC on the 1.75 eV bandgap FA 0.83Cs 0.17Pb(I 0.66Br 0.34)more » 3, resulting in an enhancement of the photoluminescence quantum yield (PLQY) of over an order of magnitude, an increase of 80 meV in the quasi-Fermi level splitting (to 1.29 eV), an increase in diffusion length by a factor of 3.5 (to over 1 μm), and enhanced open-circuit voltage and short-circuit current from photovoltaics fabricated from the LAC-treated films.« less

Effect of random inhomogeneities in the spatial distribution of radiation-induced defect clusters on carrier transport through the thin base of a heterojunction bipolar transistor upon neutron irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Puzanov, A. S.; Obolenskiy, S. V., E-mail: obolensk@rf.unn.ru; Kozlov, V. A.

We analyze the electron transport through the thin base of a GaAs heterojunction bipolar transistor with regard to fluctuations in the spatial distribution of defect clusters induced by irradiation with a fissionspectrum fast neutron flux. We theoretically demonstrate that the homogeneous filling of the working region with radiation-induced defect clusters causes minimum degradation of the dc gain of the heterojunction bipolar transistor.

Terahertz Emission from Hybrid Perovskites Driven by Ultrafast Charge Separation and Strong Electron-Phonon Coupling.

PubMed

Guzelturk, Burak; Belisle, Rebecca A; Smith, Matthew D; Bruening, Karsten; Prasanna, Rohit; Yuan, Yakun; Gopalan, Venkatraman; Tassone, Christopher J; Karunadasa, Hemamala I; McGehee, Michael D; Lindenberg, Aaron M

2018-03-01

Unusual photophysical properties of organic-inorganic hybrid perovskites have not only enabled exceptional performance in optoelectronic devices, but also led to debates on the nature of charge carriers in these materials. This study makes the first observation of intense terahertz (THz) emission from the hybrid perovskite methylammonium lead iodide (CH 3 NH 3 PbI 3 ) following photoexcitation, enabling an ultrafast probe of charge separation, hot-carrier transport, and carrier-lattice coupling under 1-sun-equivalent illumination conditions. Using this approach, the initial charge separation/transport in the hybrid perovskites is shown to be driven by diffusion and not by surface fields or intrinsic ferroelectricity. Diffusivities of the hot and band-edge carriers along the surface normal direction are calculated by analyzing the emitted THz transients, with direct implications for hot-carrier device applications. Furthermore, photogenerated carriers are found to drive coherent terahertz-frequency lattice distortions, associated with reorganizations of the lead-iodide octahedra as well as coupled vibrations of the organic and inorganic sublattices. This strong and coherent carrier-lattice coupling is resolved on femtosecond timescales and found to be important both for resonant and far-above-gap photoexcitation. This study indicates that ultrafast lattice distortions play a key role in the initial processes associated with charge transport. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface/Interface Carrier-Transport Modulation for Constructing Photon-Alternative Ultraviolet Detectors Based on Self-Bending-Assembled ZnO Nanowires.

PubMed

Guo, Zhen; Zhou, Lianqun; Tang, Yuguo; Li, Lin; Zhang, Zhiqi; Yang, Hongbo; Ma, Hanbin; Nathan, Arokia; Zhao, Dongxu

2017-09-13

Surface/interface charge-carrier generation, diffusion, and recombination/transport modulation are especially important in the construction of photodetectors with high efficiency in the field of nanoscience. In the paper, a kind of ultraviolet (UV) detector is designed based on ZnO nanostructures considering photon-trapping, surface plasmonic resonance (SPR), piezophototronic effects, interface carrier-trapping/transport control, and collection. Through carefully optimized surface/interface carrier-transport modulation, a designed device with detectivity as high as 1.69 × 10 16 /1.71 × 10 16 cm·Hz 1/2 /W irradiating with 380 nm photons under ultralow bias of 0.2 V is realized by alternating nanoparticle/nanowire active layers, respectively, and the designed UV photodetectors show fast and slow recovery processes of 0.27 and 4.52 ms, respectively, which well-satisfy practical needs. Further, it is observed that UV photodetection could be performed within an alternative response by varying correlated key parameters, through efficient surface/interface carrier-transport modulation, spectrally resolved photoresponse of the detector revealing controlled detection in the UV region based on the ZnO nanomaterial, photodetection allowed or limited by varying the active layers, irradiation distance from one of the electrodes, standing states, or electric field. The detailed carrier generation, diffusion, and recombination/transport processes are well illustrated to explain charge-carrier dynamics contributing to the photoresponse behavior.

Periodic surface structure bifurcation induced by ultrafast laser generated point defect diffusion in GaAs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abere, Michael J.; Yalisove, Steven M.; Torralva, Ben

2016-04-11

The formation of high spatial frequency laser induced periodic surface structures (HSFL) with period <0.3 λ in GaAs after irradiation with femtosecond laser pulses in air is studied. We have identified a point defect generation mechanism that operates in a specific range of fluences in semiconductors between the band-gap closure and ultrafast-melt thresholds that produces vacancy/interstitial pairs. Stress relaxation, via diffusing defects, forms the 350–400 nm tall and ∼90 nm wide structures through a bifurcation process of lower spatial frequency surface structures. The resulting HSFL are predominately epitaxial single crystals and retain the original GaAs stoichiometry.

Exploring the Electronic Landscape at Interfaces and Junctions in Semiconductor Nanowire Devices with Subsurface Local Probing of Carrier Dynamics

NASA Astrophysics Data System (ADS)

McGuckin, Terrence

The solid state devices that are pervasive in our society, are based on building blocks composed of interfaces between materials and junctions that manipulate how charge carriers behave in a device. As the dimensions of these devices are reduced to the nanoscale, surfaces and interfaces play a larger role in the behavior of carriers in devices and must be thoroughly investigated to understand not only the material properties but how these materials interact. Separating the effects of these different building blocks is a challenge, as most testing methods measure the performance of the whole device. Semiconductor nanowires represent an excellent test system to explore the limits of size and novel device structures. The behavior of charge carriers in semiconductor nanowire devices under operational conditions is investigated using local probing technique electron beam induced current (EBIC). The behavior of locally excited carriers are driven by the forces of drift, from electric fields within a device at junctions, surfaces, contacts and, applied voltage bias, and diffusion. This thesis presents the results of directly measuring these effects spatially with nanometer resolution, using EBIC in Ge, Si, and complex heterostructure GaAs/AlGaAs nanowire devices. Advancements to the EBIC technique, have pushed the resolution from tens of nanometers down to 1 to 2 nanometers. Depth profiling and tuning of the interaction volume allows for the separating the signal originating from the surface and the interior of the nanowire. Radial junctions and variations in bands can now be analyzed including core/shell hetero-structures. This local carrier probing reveals a number of surprising behaviors; Most notably, directly imaging the evolution of surface traps filling with electrons causing bandbending at the surface of Ge nanowires that leads to an enhancement in the charge separation of electrons and holes, and extracting different characteristic lengths from GaAs and AlGaAs in core/shell nanowires. For new and emerging solid state materials, understanding charge carrier dynamics is crucial to designing functional devices. Presented here are examples of the wide application of EBIC, and its variants, through imaging domains in ferroelectric materials, local electric fields and defects in 2D semiconductor material MoS2, and gradients in doping profiles of solar cells. Measuring the local behavior of carrier dynamics, EBIC has the potential to be a key metrology technique in correlative microscopy, enabling a deeper understanding of materials and how they interact within devices.

A Theoretical Study of Bulk and Surface Diffusion Processes for Semiconductor Materials Using First Principles Calculations

NASA Astrophysics Data System (ADS)

Roehl, Jason L.

Diffusion of point defects on crystalline surfaces and in their bulk is an important and ubiquitous phenomenon affecting film quality, electronic properties and device functionality. A complete understanding of these diffusion processes enables one to predict and then control those processes. Such understanding includes knowledge of the structural, energetic and electronic properties of these native and non-native point defect diffusion processes. Direct experimental observation of the phenomenon is difficult and microscopic theories of diffusion mechanisms and pathways abound. Thus, knowing the nature of diffusion processes, of specific point defects in given materials, has been a challenging task for analytical theory as well as experiment. The recent advances in computing technology have been a catalyst for the rise of a third mode of investigation. The advent of tremendous computing power, breakthroughs in algorithmic development in computational applications of electronic density functional theory now enables direct computation of the diffusion process. This thesis demonstrates such a method applied to several different examples of point defect diffusion on the (001) surface of gallium arsenide (GaAs) and the bulk of cadmium telluride (CdTe) and cadmium sulfide (CdS). All results presented in this work are ab initio, total-energy pseudopotential calculations within the local density approximation to density-functional theory. Single particle wavefunctions were expanded in a plane-wave basis and reciprocal space k-point sampling was achieved by Monkhorst-Pack generated k-point grids. Both surface and bulk computations employed a supercell approach using periodic boundary conditions. Ga adatom adsorption and diffusion processes were studied on two reconstructions of the GaAs(001) surface including the c(4x4) and c(4x4)-heterodimer surface reconstructions. On the GaAs(001)- c(4x4) surface reconstruction, two distinct sets of minima and transition sites were discovered for a Ga adatom relaxing from heights of 3 and 0.5 A from the surface. These two sets show significant differences in the interaction of the Ga adatom with surface As dimers and an electronic signature of the differences in this interaction was identified. The energetic barriers to diffusion were computed between various adsorption sites. Diffusion profiles for native Cd and S, adatom and vacancy, and non-native interstitial adatoms of Te, Cu and Cl were investigated in bulk wurtzite CdS. The interstitial diffusion paths considered in this work were chosen parallel to c-axis as it represents the path encountered by defects diffusing from the CdTe layer. Because of the lattice mismatch between zinc-blende CdTe and hexagonal wurtzite CdS, the c-axis in CdS is normal to the CdTe interface. The global minimum and maximum energy positions in the bulk unit cell vary for different diffusing species. This results in a significant variation, in the bonding configurations and associated strain energies of different extrema positions along the diffusion paths for various defects. The diffusion barriers range from a low of 0.42 eV for an S interstitial to a high of 2.18 eV for a S vacancy. The computed 0.66 eV barrier for a Cu interstitial is in good agreement with experimental values in the range of 0.58 - 0.96 eV reported in the literature. There exists an electronic signature in the local density of states for the s- and d-states of the Cu interstitial at the global maximum and global minimum energy position. The work presented in this thesis is an investigation into diffusion processes for semiconductor bulk and surfaces. The work provides information about these processes at a level of control unavailable experimentally giving an elaborate description into physical and electronic properties associated with diffusion at its most basic level. Not only does this work provide information about GaAs, CdTe and CdS, it is intended to contribute to a foundation of knowledge that can be extended to other systems to expand our overall understanding into the diffusion process. (Abstract shortened by UMI.)

Nanoscale Characterization of Carrier Dynamic and Surface Passivation in InGaN/GaN Multiple Quantum Wells on GaN Nanorods.

PubMed

Chen, Weijian; Wen, Xiaoming; Latzel, Michael; Heilmann, Martin; Yang, Jianfeng; Dai, Xi; Huang, Shujuan; Shrestha, Santosh; Patterson, Robert; Christiansen, Silke; Conibeer, Gavin

2016-11-23

Using advanced two-photon excitation confocal microscopy, associated with time-resolved spectroscopy, we characterize InGaN/GaN multiple quantum wells on nanorod heterostructures and demonstrate the passivation effect of a KOH treatment. High-quality InGaN/GaN nanorods were fabricated using nanosphere lithography as a candidate material for light-emitting diode devices. The depth- and time-resolved characterization at the nanoscale provides detailed carrier dynamic analysis helpful for understanding the optical properties. The nanoscale spatially resolved images of InGaN quantum well and defects were acquired simultaneously. We demonstrate that nanorod etching improves light extraction efficiency, and a proper KOH treatment has been found to reduce the surface defects efficiently and enhance the luminescence. The optical characterization techniques provide depth-resolved and time-resolved carrier dynamics with nanoscale spatially resolved mapping, which is crucial for a comprehensive and thorough understanding of nanostructured materials and provides novel insight into the improvement of materials fabrication and applications.

Achieving high carrier mobility exceeding 70 cm2/Vs in amorphous zinc tin oxide thin-film transistors

NASA Astrophysics Data System (ADS)

Kim, Sang Tae; Shin, Yeonwoo; Yun, Pil Sang; Bae, Jong Uk; Chung, In Jae; Jeong, Jae Kyeong

2017-09-01

This paper proposes a new defect engineering concept for low-cost In- and Ga-free zinc tin oxide (ZTO) thin-film transistors (TFTs). This concept is comprised of capping ZTO films with tantalum (Ta) and a subsequent modest thermal annealing treatment at 200 °C. The Ta-capped ZTO TFTs exhibited a remarkably high carrier mobility of 70.8 cm2/Vs, low subthreshold gate swing of 0.18 V/decade, threshold voltage of -1.3 V, and excellent ION/OFF ratio of 2 × 108. The improvement (> two-fold) in the carrier mobility compared to the uncapped ZTO TFT can be attributed to the effective reduction of the number of adverse tailing trap states, such as hydroxyl groups or oxygen interstitial defects, which stems from the scavenging effect of the Ta capping layer on the ZTO channel layer. Furthermore, the Ta-capped ZTO TFTs showed excellent positive and negative gate bias stress stabilities. [Figure not available: see fulltext.

The influence of nitrogen implantation on the electrical properties of amorphous IGZO

NASA Astrophysics Data System (ADS)

Zhan, S. L.; Zhao, M.; Zhuang, D. M.; Fu, E. G.; Cao, M. J.; Guo, L.; Ouyang, L. Q.

2017-09-01

In this study, nitrogen (N) implantation was adopted to regulate the carrier concentration and the Hall mobility of amorphous Indium Gallium Zinc Oxide (a-IGZO) films. The Hall Effect measurement demonstrates that the increase of implantation fluence can decrease the carrier concentration of a-IGZO by three orders to 1016 cm-3, which attributes to the reduction of oxygen defects. The addition of nitrogen atoms can result in the increase of Hall mobility to 9.93 cm2/V s with the subsequent decrease to 6.49 cm2/V s, which reflects the reduction of the average potential barrier height (φ0) to be 22.0 meV with subsequent increase to 74.8 meV in the modified percolation model. The results indicate that nitrogen can serve as an effective p-type dopants and oxygen defect suppressors. N-implantation with an appropriate fluence can effectively improve the Hall mobility and reduce the carrier concentration simultaneously.

Mobility and coalescence of stacking fault tetrahedra in Cu

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez, Enrique; Uberuaga, Blas P.

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

DOE PAGES

Martínez, Enrique; Uberuaga, Blas P.

2015-03-13

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

PubMed Central

Martínez, Enrique; Uberuaga, Blas P.

2015-01-01

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs can diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects. PMID:25765711

A first-principles model of copper-boron interactions in Si: implications for the light-induced degradation of solar Si

NASA Astrophysics Data System (ADS)

Wright, E.; Coutinho, J.; Öberg, S.; Torres, V. J. B.

2017-02-01

The recent discovery that Cu contamination of Si combined with light exposure has a significant detrimental impact on carrier life-time has drawn much concern within the solar-Si community. The effect, known as the copper-related light-induced degradation (Cu-LID) of Si solar cells, has been connected to the release of Cu interstitials within the bulk (2016 Sol. Energy Mater. Sol. Cells 147 115-26). In this paper, we describe a comprehensive analysis of the formation/dissociation process of the CuB pair in Si by means of first-principles modelling, as well as the interaction of CuB defects with photo-excited minority carriers. We confirm that the long-range interaction between the \\text{Cu}\\text{i}+ cation and the \\text{B}\\text{s}- anion has a Coulomb-like behaviour, in line with the trapping-limited diffusivity of Cu observed by transient ion drift measurements. On the other hand, the short-range interaction between the d-electrons of Cu and the excess of negative charge on \\text{B}\\text{s}- produces a repulsive effect, thereby decreasing the binding energy of the pair when compared to the ideal point-charge Coulomb model. We also find that metastable CuB pairs produce acceptor states just below the conduction band minimum, which arise from the Cu level emptied by the B acceptor. Based on these results, we argue that photo-generated minority carriers trapped by the metastable pairs can switch off the Coulomb interaction that holds the pairs together, enhancing the release of Cu interstitials, and acting as a catalyst for Cu-LID.

High Tolerance to Iron Contamination in Lead Halide Perovskite Solar Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poindexter, Jeremy R.; Hoye, Robert L. Z.; Nienhaus, Lea

The relationship between charge-carrier lifetime and the tolerance of lead halide perovskite (LHP) solar cells to intrinsic point defects has drawn much attention by helping to explain rapid improvements in device efficiencies. However, little is known about how charge-carrier lifetime and solar cell performance in LHPs are affected by extrinsic defects (i.e., impurities), including those that are common in manufacturing environments and known to introduce deep levels in other semiconductors. Here, we evaluate the tolerance of LHP solar cells to iron introduced via intentional contamination of the feedstock and examine the root causes of the resulting efficiency losses. We findmore » that comparable efficiency losses occur in LHPs at feedstock iron concentrations approximately 100 times higher than those in p-type silicon devices. Photoluminescence measurements correlate iron concentration with nonradiative recombination, which we attribute to the presence of deep-level iron interstitials, as calculated from first-principles, as well as iron-rich particles detected by synchrotron-based X-ray fluorescence microscopy. At moderate contamination levels, we witness prominent recovery of device efficiencies to near-baseline values after biasing at 1.4 V for 60 s in the dark. We theorize that this temporary effect arises from improved charge-carrier collection enhanced by electric fields strengthened from ion migration toward interfaces. Lastly, our results demonstrate that extrinsic defect tolerance contributes to high efficiencies in LHP solar cells, which inspires further investigation into potential large-scale manufacturing cost savings as well as the degree of overlap between intrinsic and extrinsic defect tolerance in LHPs and 'perovskite-inspired' lead-free stable alternatives.« less

High Tolerance to Iron Contamination in Lead Halide Perovskite Solar Cells

DOE PAGES

Poindexter, Jeremy R.; Hoye, Robert L. Z.; Nienhaus, Lea; ...

2017-06-28

The relationship between charge-carrier lifetime and the tolerance of lead halide perovskite (LHP) solar cells to intrinsic point defects has drawn much attention by helping to explain rapid improvements in device efficiencies. However, little is known about how charge-carrier lifetime and solar cell performance in LHPs are affected by extrinsic defects (i.e., impurities), including those that are common in manufacturing environments and known to introduce deep levels in other semiconductors. Here, we evaluate the tolerance of LHP solar cells to iron introduced via intentional contamination of the feedstock and examine the root causes of the resulting efficiency losses. We findmore » that comparable efficiency losses occur in LHPs at feedstock iron concentrations approximately 100 times higher than those in p-type silicon devices. Photoluminescence measurements correlate iron concentration with nonradiative recombination, which we attribute to the presence of deep-level iron interstitials, as calculated from first-principles, as well as iron-rich particles detected by synchrotron-based X-ray fluorescence microscopy. At moderate contamination levels, we witness prominent recovery of device efficiencies to near-baseline values after biasing at 1.4 V for 60 s in the dark. We theorize that this temporary effect arises from improved charge-carrier collection enhanced by electric fields strengthened from ion migration toward interfaces. Lastly, our results demonstrate that extrinsic defect tolerance contributes to high efficiencies in LHP solar cells, which inspires further investigation into potential large-scale manufacturing cost savings as well as the degree of overlap between intrinsic and extrinsic defect tolerance in LHPs and 'perovskite-inspired' lead-free stable alternatives.« less

Diffusion Mechanisms of Ag atom in ZnO crystal: A First Principles Study

NASA Astrophysics Data System (ADS)

Masoumi, Saeed; Noori, Amirreza; Nadimi, Ebrahim

2017-12-01

Zinc oxide (ZnO) is currently under intensive investigation, as a result of its various applications in micro, nano and optoelectronics. However, a stable and reproducible p-type doping of ZnO is still a main challenging issue. Group IB elements such as Au, Cu and Ag, are promising candidates for p-type doping. Particularly, Ag atoms has been shown to be able to easily diffuse through the crystal structure of ZnO and lead to the p-type doping of the host crystal. However, the current understanding of Ag defects and their mobility in the ZnO crystal is still not fully explored. In this work, we report the results of our first-principles calculations based on density functional theory for Ag defects, particularly the interstitial and substitutional defects in ZnO crystal. Defect formation energies are calculated in different charged states as a function of Fermi energy in order to clarify the p-type behaviour of Ag-doped ZnO. We also investigate the diffusion behaviour and migration paths of Ag in ZnO crystal in the framework of density functional theory applying climbing image (CI) nudged elastic band method (NEB).

Slow cooling and highly efficient extraction of hot carriers in colloidal perovskite nanocrystals.

PubMed

Li, Mingjie; Bhaumik, Saikat; Goh, Teck Wee; Kumar, Muduli Subas; Yantara, Natalia; Grätzel, Michael; Mhaisalkar, Subodh; Mathews, Nripan; Sum, Tze Chien

2017-02-08

Hot-carrier solar cells can overcome the Schottky-Queisser limit by harvesting excess energy from hot carriers. Inorganic semiconductor nanocrystals are considered prime candidates. However, hot-carrier harvesting is compromised by competitive relaxation pathways (for example, intraband Auger process and defects) that overwhelm their phonon bottlenecks. Here we show colloidal halide perovskite nanocrystals transcend these limitations and exhibit around two orders slower hot-carrier cooling times and around four times larger hot-carrier temperatures than their bulk-film counterparts. Under low pump excitation, hot-carrier cooling mediated by a phonon bottleneck is surprisingly slower in smaller nanocrystals (contrasting with conventional nanocrystals). At high pump fluence, Auger heating dominates hot-carrier cooling, which is slower in larger nanocrystals (hitherto unobserved in conventional nanocrystals). Importantly, we demonstrate efficient room temperature hot-electrons extraction (up to ∼83%) by an energy-selective electron acceptor layer within 1 ps from surface-treated perovskite NCs thin films. These insights enable fresh approaches for extremely thin absorber and concentrator-type hot-carrier solar cells.

Self-Diffusion in Amorphous Silicon by Local Bond Rearrangements

NASA Astrophysics Data System (ADS)

Kirschbaum, J.; Teuber, T.; Donner, A.; Radek, M.; Bougeard, D.; Böttger, R.; Hansen, J. Lundsgaard; Larsen, A. Nylandsted; Posselt, M.; Bracht, H.

2018-06-01

Experiments on self-diffusion in amorphous silicon (Si) were performed at temperatures between 460 to 600 ° C . The amorphous structure was prepared by Si ion implantation of single crystalline Si isotope multilayers epitaxially grown on a silicon-on-insulator wafer. The Si isotope profiles before and after annealing were determined by means of secondary ion mass spectrometry. Isothermal diffusion experiments reveal that structural relaxation does not cause any significant intermixing of the isotope interfaces whereas self-diffusion is significant before the structure recrystallizes. The temperature dependence of self-diffusion is described by an Arrhenius law with an activation enthalpy Q =(2.70 ±0.11 ) eV and preexponential factor D0=(5.5-3.7+11.1)×10-2 cm2 s-1 . Remarkably, Q equals the activation enthalpy of hydrogen diffusion in amorphous Si, the migration of bond defects determining boron diffusion, and the activation enthalpy of solid phase epitaxial recrystallization reported in the literature. This close agreement provides strong evidence that self-diffusion is mediated by local bond rearrangements rather than by the migration of extended defects as suggested by Strauß et al. (Phys. Rev. Lett. 116, 025901 (2016), 10.1103/PhysRevLett.116.025901).

Measurement of the minority carrier diffusion length and edge surface-recombination velocity in InP

NASA Technical Reports Server (NTRS)

Bailey, Sheila G.; Hakimzadeh, Roshanak

1993-01-01

A scanning electron microscope (SEM) was used to measure the electron (minority carrier) diffusion length (L(sub n)) and the edge surface-recombination velocity (V(sub s)) in zinc-doped Czochralski-grown InP wafers. Electron-beam-induced current (EBIC) profiles were obtained in specimens containing a Schottky barrier perpendicular to the scanned (edge) surface. An independent technique was used to measure V(sub s), and these values were used in a theoretical expression for normalized EBIC. A fit of the experimental data with this expression enabled us to determine L(sub n).

Intrinsic Enhancement of Dielectric Permittivity in (Nb + In) co-doped TiO2 single crystals.

PubMed

Kawarasaki, Masaru; Tanabe, Kenji; Terasaki, Ichiro; Fujii, Yasuhiro; Taniguchi, Hiroki

2017-07-13

The development of dielectric materials with colossal permittivity is important for the miniaturization of electronic devices and fabrication of high-density energy-storage devices. The electron-pinned defect-dipoles has been recently proposed to boost the permittivity of (Nb + In) co-doped TiO 2 to 10 5 . However, the follow-up studies suggest an extrinsic contribution to the colossal permittivity from thermally excited carriers. Herein, we demonstrate a marked enhancement in the permittivity of (Nb + In) co-doped TiO 2 single crystals at sufficiently low temperatures such that the thermally excited carriers are frozen out and exert no influence on the dielectric response. The results indicate that the permittivity attains quadruple of that for pure TiO 2 . This finding suggests that the electron-pinned defect-dipoles add an extra dielectric response to that of the TiO 2 host matrix. The results offer a novel approach for the development of functional dielectric materials with large permittivity by engineering complex defects into bulk materials.

Extrinsic doping of the half-Heusler compounds

NASA Astrophysics Data System (ADS)

Stern, Robin; Dongre, Bonny; Madsen, Georg K. H.

2016-08-01

Controlling the p- and n-type doping is a key tool to improve the power-factor of thermoelectric materials. In the present work we provide a detailed understanding of the defect thermochemistry in half-Heusler compounds. We calculate the formation energies of intrinsic and extrinsic defects in state of the art n-type TiNiSn and p-type TiCoSb thermoelectric materials. It is shown how the incorporation of online repositories can reduce the workload in these calculations. In TiNiSn we find that Ni- and Ti-interstitial defects play a crucial role in the carrier concentration of TiNiSn. Furthermore, we find that extrinsic doping with Sb can substantially enhance the carrier concentration, in agreement with experiment. In case of TiCoSb, we find ScTi, FeCo and SnSb being possible p-type dopants. While experimental work has mainly focussed on Sn-doping of the Sb site, the present result underlines the possibility to p-dope TiCoSb on all lattice sites.

Ultralow-power switching via defect engineering in germanium telluride phase-change memory devices

PubMed Central

Nukala, Pavan; Lin, Chia-Chun; Composto, Russell; Agarwal, Ritesh

2016-01-01

Crystal–amorphous transformation achieved via the melt-quench pathway in phase-change memory involves fundamentally inefficient energy conversion events; and this translates to large switching current densities, responsible for chemical segregation and device degradation. Alternatively, introducing defects in the crystalline phase can engineer carrier localization effects enhancing carrier–lattice coupling; and this can efficiently extract work required to introduce bond distortions necessary for amorphization from input electrical energy. Here, by pre-inducing extended defects and thus carrier localization effects in crystalline GeTe via high-energy ion irradiation, we show tremendous improvement in amorphization current densities (0.13–0.6 MA cm−2) compared with the melt-quench strategy (∼50 MA cm−2). We show scaling behaviour and good reversibility on these devices, and explore several intermediate resistance states that are accessible during both amorphization and recrystallization pathways. Existence of multiple resistance states, along with ultralow-power switching and scaling capabilities, makes this approach promising in context of low-power memory and neuromorphic computation. PMID:26805748

The defect level and ideal thermal conductivity of graphene uncovered by residual thermal reffusivity at the 0 K limit

NASA Astrophysics Data System (ADS)

Xie, Yangsu; Xu, Zaoli; Xu, Shen; Cheng, Zhe; Hashemi, Nastaran; Deng, Cheng; Wang, Xinwei

2015-05-01

Due to its intriguing thermal and electrical properties, graphene has been widely studied for potential applications in sensor and energy devices. However, the reported value for its thermal conductivity spans from dozens to thousands of W m-1 K-1 due to different levels of alternations and defects in graphene samples. In this work, the thermal diffusivity of suspended four-layered graphene foam (GF) is characterized from room temperature (RT) down to 17 K. For the first time, we identify the defect level in graphene by evaluating the inverse of thermal diffusivity (termed ``thermal reffusivity'': Θ) at the 0 K limit. By using the Debye model of Θ = Θ0 + C × e-θ/2T and fitting the Θ-T curve to the point of T = 0 K, we identify the defect level (Θ0) and determine the Debye temperature of graphene. Θ0 is found to be 1878 s m-2 for the studied GF and 43-112 s m-2 for three highly crystalline graphite materials. This uncovers a 16-43-fold higher defect level in GF than that in pyrolytic graphite. In GF, the phonon mean free path solely induced by defects and boundary scattering is determined as 166 nm. The Debye temperature of graphene is determined to be 1813 K, which is very close to the average theoretical Debye temperature (1911 K) of the three acoustic phonon modes in graphene. By subtracting the defect effect, we report the ideal thermal diffusivity and conductivity (κideal) of graphene presented in the 3D foam structure in the range of 33-299 K. Detailed physics based on chemical composition and structure analysis are given to explain the κideal-T profile by comparing with those reported for suspended graphene.Due to its intriguing thermal and electrical properties, graphene has been widely studied for potential applications in sensor and energy devices. However, the reported value for its thermal conductivity spans from dozens to thousands of W m-1 K-1 due to different levels of alternations and defects in graphene samples. In this work, the thermal diffusivity of suspended four-layered graphene foam (GF) is characterized from room temperature (RT) down to 17 K. For the first time, we identify the defect level in graphene by evaluating the inverse of thermal diffusivity (termed ``thermal reffusivity'': Θ) at the 0 K limit. By using the Debye model of Θ = Θ0 + C × e-θ/2T and fitting the Θ-T curve to the point of T = 0 K, we identify the defect level (Θ0) and determine the Debye temperature of graphene. Θ0 is found to be 1878 s m-2 for the studied GF and 43-112 s m-2 for three highly crystalline graphite materials. This uncovers a 16-43-fold higher defect level in GF than that in pyrolytic graphite. In GF, the phonon mean free path solely induced by defects and boundary scattering is determined as 166 nm. The Debye temperature of graphene is determined to be 1813 K, which is very close to the average theoretical Debye temperature (1911 K) of the three acoustic phonon modes in graphene. By subtracting the defect effect, we report the ideal thermal diffusivity and conductivity (κideal) of graphene presented in the 3D foam structure in the range of 33-299 K. Detailed physics based on chemical composition and structure analysis are given to explain the κideal-T profile by comparing with those reported for suspended graphene. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02012c

Time scales of transient enhanced diffusion: Free and clustered interstitials

NASA Astrophysics Data System (ADS)

Cowern, N. E. B.; Huizing, H. G. A.; Stolk, P. A.; Visser, C. C. G.; de Kruif, R. C. M.; Kyllesbech Larsen, K.; Privitera, V.; Nanver, L. K.; Crans, W.

1996-12-01

Transient enhanced diffusion (TED) and electrical activation after nonamorphizing Si implantations into lightly B-doped Si multilayers shows two distinct timescales, each related to a different class of interstitial defect. At 700°C, ultrafast TED occurs within the first 15 s with a B diffusivity enhancement of > 2 × 10 5. Immobile clustered B is present at low concentration levels after the ultrafast transient and persists for an extended period (˜ 10 2-10 3 s). The later phase of TED exhibits a near-constant diffusivity enhancement of ≈ 1 × 10 4, consistent with interstitial injection controlled by dissolving {113} interstitial clusters. The relative contributions of the ultrafast and regular TED regimes to the final diffusive broadening of the B profile depends on the proportion of interstitials that escape capture by {113} clusters growing within the implant damage region upon annealing. Our results explain the ultrafast TED recently observed after medium-dose B implantation. In that case there are enough B atoms to trap a large proportion of interstitials in SiB clusters, and the remaining interstitials contribute to TED without passing through an intermediate {113} defect stage. The data on the ultrafast TED pulse allows us to extract lower limits for the diffusivities of the Si interstitial ( DI > 2 × 10 -10 cm 2s -1) and the B interstitial(cy) defect ( DBi > 2 × 10 -13 cm 2s -1) at 700°C.

Gas Phase Spectroscopy of Cold PAH Ions: Contribution to the Interstellar Extinction and the Diffuse Interstellar Bands

NASA Technical Reports Server (NTRS)

Biennier, L.; Salama, F.; Allamandola, L. J.; Scherer, J. J.; OKeefe, A.

2002-01-01

Polycyclic Aromatic Hydrocarbon molecules (PAHs) are ubiquitous in the interstellar medium (ISM) and constitute the building blocks of interstellar dust grains. Despite their inferred important role in mediating the energetic and chemical processes in thc ISM, their exact contribution to the interstellar extinction, and in particular to the diffuse interstellar bands (DIBs) remains unclear. The DIBs are spectral absorption features observed in the line of sight of stars that are obscured by diffuse interstellar clouds. More than 200 bands have been reported to date spanning from the near UV to the near IR with bandwidths ranging from 0.4 to 40 Angstroms (Tielens & Snow 1995). The present consensus is that the DIBs arise from free flying, gas-phase, organic molecules and/or ions that are abundant under the typical conditions reigning in the diffuse ISM. PAHs have been proposed as possible carriers (Allamandola et al. 1985; Leger & DHendecourt 1985). The PAH hypothesis is consistent with the cosmic abundance of Carbon and Hydrogen and with the required photostability of the DIB carriers against the strong VUV radiation field in the diffuse interstellar clouds. A significant fraction of PAHs is expected to be ionized in the diffuse ISM.

DOE Office of Scientific and Technical Information (OSTI.GOV)

The Anh, Le, E-mail: letheanh@jaist.ac.jp; Lam, Pham Tien; Manoharan, Muruganathan

We present a first-principles study on the interstitial-mediated diffusion process of neutral phosphorus (P) atoms in a silicon crystal with the presence of mono-atomic hydrogen (H). By relaxing initial Si structures containing a P atom and an H atom, we derived four low-energy P-H-Si defect complexes whose formation energies are significantly lower than those of P-Si defect complexes. These four defect complexes are classified into two groups. In group A, an H atom is located near a Si atom, whereas in group B, an H atom is close to a P atom. We found that the H atom pairs withmore » P or Si atom and changes the nature bonding between P and Si atoms from out-of-phase conjugation to in-phase conjugation. This fact results in the lower formation energies compare to the cases without H atom. For the migration of defect complexes, we have found that P-H-Si defect complexes can migrate with low barrier energies if an H atom sticks to either P or Si atom. Group B complexes can migrate from one lattice site to another with an H atom staying close to a P atom. Group A complexes cannot migrate from one lattice site to another without a transfer of an H atom from one Si atom to another Si atom. A change in the structure of defect complexes between groups A and B during the migration results in a transfer of an H atom between P and Si atoms. The results for diffusion of group B complexes show that the presence of mono-atomic H significantly reduces the activation energy of P diffusion in a Si crystal, which is considered as a summation of formation energy and migration barrier energy, leading to the enhancement of diffusion of P atoms at low temperatures, which has been suggested by recent experimental studies.« less

Minority carrier lifetime and dark current measurements in mid-wavelength infrared InAs 0.91Sb 0.09 alloy nBn photodetectors

DOE PAGES

Olson, B. V.; Kim, J. K.; Kadlec, E. A.; ...

2015-11-03

Carrier lifetime and dark current measurements are reported for a mid-wavelength infrared InAs 0.91Sb 0.09 alloy nBn photodetector. Minority carrier lifetimes are measured using a non-contact time-resolved microwave technique on unprocessed portions of the nBn wafer and the Auger recombination Bloch function parameter is determined to be |F 1F 2|=0.292. Moreover, the measured lifetimes are also used to calculate the expected diffusion dark current of the nBn devices and are compared with the experimental dark current measured in processed photodetector pixels from the same wafer. As a result, excellent agreement is found between the two, highlighting the important relationship betweenmore » lifetimes and diffusion currents in nBn photodetectors.« less

"The Undesirability of Admitting Deaf Mutes": U.S. Immigration Policy and Deaf Immigrants, 1882-1924

ERIC Educational Resources Information Center

Baynton, Douglas C.

2006-01-01

When the federal government began in the 1880s to regulate immigration, the exclusion of what were termed "defectives" was one of the primary aims. Deaf people were among the thousands of disabled immigrants turned back each year at U.S. ports as "undesirables." Stereotyped as economically dependent and as carriers of potentially defective genes,…