Carrier illumination measurement of dopant lateral diffusion

International Nuclear Information System (INIS)

Budiarto, E.; Segovia, M.; Borden, P.; Felch, S.

2005-01-01

This paper describes the application of the carrier illumination technique to non-destructively measure the lateral diffusion of implanted dopants after annealing. Experiments to validate the feasibility of this method employed test structures with a constant line width of 300 nm and varying undoped spaces of 100-5000 nm. The test patterns were implanted with a p-type dopant and annealed in a 3 x 3 matrix. For each implant condition, the measured lateral diffusion was found to increase with annealing temperature, as expected. More interestingly, the lateral diffusion was not observed to relate to the vertical diffusion by a fixed proportionality factor, as is usually assumed. The ratio of lateral to vertical diffusion varies with annealing temperature, with a trend that depends on the implant condition

Compact Models for Defect Diffusivity in Semiconductor Alloys.

Energy Technology Data Exchange (ETDEWEB)

Wright, Alan F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nanostructure Physics Department; Modine, Normand A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nanostructure Physics Department; Lee, Stephen R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Advanced Materials Sciences Department; Foiles, Stephen M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Computational Materials and Data Science Department

2017-09-01

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 to 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

Determination of carrier diffusion length in GaN

Science.gov (United States)

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.

Atomic defects and diffusion in metals

International Nuclear Information System (INIS)

Siegel, R.W.

1981-11-01

The tracer self-diffusion data for fcc and refractory bcc metals are briefly reviewed with respect to (i) the available monovacancy formation and migration properties and (ii) the high-temperature diffusion enhancement above that expected for mass transport via atomic exchange with monovacancies. While the atomic-defect mechanism for low-temperature self-diffusion can be reliably attributed to monovacancies, the mechanisms responsible for high-temperature mass transport are not so easily defined at this time; both divacancies and interstitials must be seriously considered. Possibilities for improving our understanding in this area are discussed. 68 references, 7 figures

Breakdown, fractoemission, diffusion: role of defects in dielectrics

International Nuclear Information System (INIS)

Vigouroux, J.P.; Serruys, Y.

1987-01-01

During the surface analysis of dielectric materials, the impinging ionising particles induce point defects localised in the band gap and build an electrical charge. The electric field created by the charged defects modifies the physico-chemical properties of surface and bulk. We show that the fundamental study of defects allows a better understanding of technological phenomena such as dielectric breakdown, fracture and diffusion [fr

Charged Semiconductor Defects Structure, Thermodynamics and Diffusion

CERN Document Server

Seebauer, Edmund G

2009-01-01

The technologically useful properties of a solid often depend upon the types and concentrations of the defects it contains. Not surprisingly, defects in semiconductors have been studied for many years, in many cases with a view towards controlling their behavior through various forms of "defect engineering." For example, in the bulk, charging significantly affects the total concentration of defects that are available to mediate phenomena such as solid-state diffusion. Surface defects play an important role in mediating surface mass transport during high temperature processing steps such as epitaxial film deposition, diffusional smoothing in reflow, and nanostructure formation in memory device fabrication. Charged Semiconductor Defects details the current state of knowledge regarding the properties of the ionized defects that can affect the behavior of advanced transistors, photo-active devices, catalysts, and sensors. Features: Group IV, III-V, and oxide semiconductors; Intrinsic and extrinsic defects; and, P...

Theory of inelastic multiphonon scattering and carrier capture by defects in semiconductors: Application to capture cross sections

Science.gov (United States)

Barmparis, Georgios D.; Puzyrev, Yevgeniy S.; Zhang, X.-G.; Pantelides, Sokrates T.

2015-12-01

Inelastic scattering and carrier capture by defects in semiconductors are the primary causes of hot-electron-mediated degradation of power devices, which holds up their commercial development. At the same time, carrier capture is a major issue in the performance of solar cells and light-emitting diodes. A theory of nonradiative (multiphonon) inelastic scattering by defects, however, is nonexistent, while the theory for carrier capture by defects has had a long and arduous history. Here we report the construction of a comprehensive theory of inelastic scattering by defects, with carrier capture being a special case. We distinguish between capture under thermal equilibrium conditions and capture under nonequilibrium conditions, e.g., in the presence of an electrical current or hot carriers where carriers undergo scattering by defects and are described by a mean free path. In the thermal-equilibrium case, capture is mediated by a nonadiabatic perturbation Hamiltonian, originally identified by Huang and Rhys and by Kubo, which is equal to linear electron-phonon coupling to first order. In the nonequilibrium case, we demonstrate that the primary capture mechanism is within the Born-Oppenheimer approximation (adiabatic transitions), with coupling to the defect potential inducing Franck-Condon electronic transitions, followed by multiphonon dissipation of the transition energy, while the nonadiabatic terms are of secondary importance (they scale with the inverse of the mass of typical atoms in the defect complex). We report first-principles density-functional-theory calculations of the capture cross section for a prototype defect using the projector-augmented wave, which allows us to employ all-electron wave functions. We adopt a Monte Carlo scheme to sample multiphonon configurations and obtain converged results. The theory and the results represent a foundation upon which to build engineering-level models for hot-electron degradation of power devices and the performance

Crystal defect studies using x-ray diffuse scattering

Energy Technology Data Exchange (ETDEWEB)

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 into 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.

Crystal defect studies using x-ray diffuse scattering

International Nuclear Information System (INIS)

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 into 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

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

Science.gov (United States)

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.

Polycrystalline Silicon Gettered by Porous Silicon and Heavy Phosphorous Diffusion

Institute of Scientific and Technical Information of China (English)

LIU Zuming(刘祖明); Souleymane K Traore; ZHANG Zhongwen(张忠文); LUO Yi(罗毅)

2004-01-01

The biggest barrier for photovoltaic (PV) utilization is its high cost, so the key for scale PV utilization is to further decrease the cost of solar cells. One way to improve the efficiency, and therefore lower the cost, is to increase the minority carrier lifetime by controlling the material defects. The main defects in grain boundaries of polycrystalline silicon gettered by porous silicon and heavy phosphorous diffusion have been studied. The porous silicon was formed on the two surfaces of wafers by chemical etching. Phosphorous was then diffused into the wafers at high temperature (900℃). After the porous silicon and diffusion layers were removed, the minority carrier lifetime was measured by photo-conductor decay. The results show that the lifetime's minority carriers are increased greatly after such treatment.

Defects and diffusion in semiconductors XIV

CERN Document Server

Fisher, David J

2012-01-01

This 14th volume in the series covers the latest results in the field of Defects and Diffusion in Semiconductor. The issue also includes some original papers: An Experimental Study of the Thermal Properties of Modified 9Cr-1Mo Steel; Physico-Mechanical Properties of Sintered Iron-Silica Sand Nanoparticle Composites: A Preliminary Study; Defect and Dislocation Density Parameters of 5251 Al Alloy Using Positron Annihilation Lifetime Technique; A Novel Computational Strategy to Enhance the Ability of Elaborate Search by Entire Swarm to Find the Best Solution in Optimization of AMCs; Synthesis and

Defects and diffusion, theory & simulation II

CERN Document Server

Fisher, David J

2010-01-01

This second volume in a new series covering entirely general results in the fields of defects and diffusion includes 356 abstracts of papers which appeared between the end of 2009 and the end of 2010. As well as the abstracts, the volume includes original papers on theory/simulation, semiconductors and metals: ""Predicting Diffusion Coefficients from First Principles ..."" (Mantina, Chen & Liu), ""Gouge Assessment for Pipes ..."" (Meliani, Pluvinage & Capelle), ""Simulation of the Impact Behaviour of ... Hollow Sphere Structures"" (Ferrano, Speich, Rimkus, Merkel & Öchsner), ""Elastic-Plastic

Measuring Charge Carrier Diffusion in Coupled Colloidal Quantum Dot Solids

KAUST Repository

Zhitomirsky, David

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. © 2013 American Chemical Society.

Steady state minority carrier lifetime and defect level occupation in thin film CdTe solar cells

International Nuclear Information System (INIS)

Cheng, Zimeng; Delahoy, Alan E.; Su, Zhaoqian; Chin, Ken K.

2014-01-01

A model consisting of Shockley Read Hall (SRH) recombination under steady state conditions of constant photon injection is proposed in this work to study the steady state minority carrier lifetime in CdS/CdTe thin film solar cells. The SRH recombination rate versus optical injection level is analytically approximated in the junction and neutral regions. In the neutral region, it is found that the recombination rate through certain defect levels has one constant value under lower optical injection conditions and another constant value under higher optical injection conditions with the transition occurring at a critical optical injection level. By simultaneously solving the equations of charge neutrality, charge conservation and SRH recombination in the neutral region, it is found that the compensation of doping and the reduction of minority carrier lifetime by donors in the p-type semiconductor can each be remedied by optical injection. It is also demonstrated that this optical-dependent SRH recombination is significant in large bandgap thin films. The measured minority carrier diffusion length in a CdS/CdTe solar cells, as determined from the steady-state photo-generated carrier collection efficiency, shows the predicted transition of minority carrier lifetime versus optical injection level. A numerical fitting of the indirectly-measured minority carrier lifetime by assuming the minority carrier mobility gives a non-intuitive picture of the p–n junction with a low free hole concentration but a narrow depletion region width. - Highlights: • Minority carrier lifetimes under different optical injections are solved. • Simplifications of Shockley–Read–Hall recombination equation are discussed. • The compensation of donor can be remedied with optical injection. • The recombination efficiency of donor can be remedied with optical injection. • The minority carrier lifetime transition under illumination was experimentally observed

Investigation of point defects diffusion in bcc uranium and U–Mo alloys

International Nuclear Information System (INIS)

Smirnova, D.E.; Kuksin, A.Yu.; Starikov, S.V.

2015-01-01

We present results of investigation of point defects formation and diffusion in pure γ-U and γ-U–Mo fuel alloys. The study was performed using molecular dynamics simulation with the different interatomic potentials. The point defects formation and migration energies were estimated for bcc γ-U and U–9 wt.%Mo alloy. The calculated diffusivities of atoms via defects are provided for pure γ-U and for the alloy components. Analysis of simulation results shows that self-interstitial atoms play a leading role in the self-diffusion processes in the materials studied. This fact can explain a remarkably high self-diffusion mobility observed experimentally for γ-U. The self-diffusion coefficients in γ-U calculated in this assumption agree with the data measured experimentally. It is shown that alloying of γ-U with Mo increase formation energy for self-interstitial atoms and decelerate their mobility. These changes lead to decrease of self-diffusion coefficients in U–Mo alloy compared to pure U

Defect-Mediated Lithium Adsorption and Diffusion on Monolayer Molybdenum Disulfide.

Science.gov (United States)

Sun, Xiaoli; Wang, Zhiguo; Fu, Y Q

2015-12-22

Monolayer Molybdenum Disulfide (MoS2) is a promising anode material for lithium ion batteries because of its high capacities. In this work, first principle calculations based on spin density functional theory were performed to investigate adsorption and diffusion of lithium on monolayer MoS2 with defects, such as single- and few-atom vacancies, antisite, and grain boundary. The values of adsorption energies on the monolayer MoS2 with the defects were increased compared to those on the pristine MoS2. The presence of defects causes that the Li is strongly bound to the monolayer MoS2 with adsorption energies in the range between 2.81 and 3.80 eV. The donation of Li 2s electron to the defects causes an enhancement of adsorption of Li on the monolayer MoS2. At the same time, the presence of defects does not apparently affect the diffusion of Li, and the energy barriers are in the range of 0.25-0.42 eV. The presence of the defects can enhance the energy storage capacity, suggesting that the monolayer MoS2 with defects is a suitable anode material for the Li-ion batteries.

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

Energy Technology Data Exchange (ETDEWEB)

Zhang, S. [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Providence High School, Charlotte, NC 28270 (United States); Su, L.Q.; Kon, J. [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Gfroerer, T. [Davidson College, Davidson, NC 28035 (United States); Wanlass, M.W. [National Renewable Energy Laboratory, Golden, CO 80401 (United States); Zhang, Y., E-mail: yong.zhang@uncc.edu [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States)

2017-05-15

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 a 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.

Blockage of ultrafast and directional diffusion of Li atoms on phosphorene with intrinsic defects.

Science.gov (United States)

Zhang, Ruiqi; Wu, Xiaojun; Yang, Jinlong

2016-02-21

The diffusion of Li in electrode materials is a key factor for the charging/discharging rate capacity of a Li-ion battery (LIB). Recently, two-dimensional phosphorene has been proposed as a very promising electrode material due to its ultrafast and directional lithium diffusion, as well as large energy capacity. Herein, on the basis of density functional theory, we report that intrinsic point defects, including vacancy and stone-wales defects, will block the directional ultrafast diffusion of lithium in phosphorene. On the defect-free phosphorene, diffusion of Li along the zig-zag lattice direction is 1.6 billion times faster than along the armchair lattice direction, and 260 times faster than that in graphite. After introducing intrinsic vacancy and stone-wales defect, the diffusion energy barrier of Li along the zig-zag lattice direction increases sharply to the range of 0.17-0.49 eV, which blocks the ultrafast migration of lithium along the zig-zag lattice direction. Moreover, the open circuit voltage increases with the emergence of defects, which is not suitable for anode materials. In addition, the formation energies of the defects in phosphorene are considerably lower than those in graphene and silicene sheet; therefore, it is highly important to generate defect-free phosphorene for LIB applications.

Effects of crystal defects on the diffuse scattering of X-rays

International Nuclear Information System (INIS)

Kremser, R.

1974-01-01

This thesis concerns with the influence of crystal defects in germanium-drifted silicium and in α=quartz on the intensity of the diffuse X-ray scattering. The experiments were performed at low and high temperatures to show the effect of the atomic thermal motion on the intensity of the diffuse maxima. The comparison of the results for pure silicium and for the germanium-drifted crystal gives information about the relation between the frequency-spectra and the defects of the drifted silicium. For α-quarts it was not possible to relate unequivocally the observed changes in the intensity to individual defects. (C.R.)

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

International Nuclear Information System (INIS)

Hallam, Brett; Abbott, Malcolm; Nampalli, Nitin; Hamer, Phill; Wenham, Stuart

2016-01-01

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 to 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

Point defect engineering strategies to retard phosphorous diffusion in germanium

KAUST Repository

Tahini, H. A.; Chroneos, Alexander I.; Grimes, Robin W.; Schwingenschlö gl, Udo; Bracht, Hartmut A.

2013-01-01

The diffusion of phosphorous in germanium is very fast, requiring point defect engineering strategies to retard it in support of technological application. Density functional theory corroborated with hybrid density functional calculations are used to investigate the influence of the isovalent codopants tin and hafnium in the migration of phosphorous via the vacancy-mediated diffusion process. The migration energy barriers for phosphorous are increased significantly in the presence of oversized isovalent codopants. Therefore, it is proposed that tin and in particular hafnium codoping are efficient point defect engineering strategies to retard phosphorous migration. © the Owner Societies 2013.

Thermodynamics of diffusion under pressure and stress: Relation to point defect mechanisms

International Nuclear Information System (INIS)

Aziz, M.J.

1997-01-01

A thermodynamic formalism is developed for illuminating the predominant point defect mechanism of self- and impurity diffusion in silicon and is used to provide a rigorous basis for point defect-based interpretation of diffusion experiments in biaxially strained epitaxial layers in the Si endash Ge system. A specific combination of the hydrostatic and biaxial stress dependences of the diffusivity is ±1 times the atomic volume, depending upon whether the predominant mechanism involves vacancies or interstitials. Experimental results for Sb diffusion in biaxially strained Si endash Ge films and ab initio calculations of the activation volume for Sb diffusion by a vacancy mechanism are in quantitative agreement with no free parameters. Key parameters are identified that must be measured or calculated for a quantitative test of interstitial-based mechanisms. copyright 1997 American Institute of Physics

Solution-diffusion with defects model for pressure-assisted forward osmosis

KAUST Repository

Duan, Jintang

2014-11-01

An osmosis transport model is presented that combines the standard internal and external concentration polarization equations in the forward osmosis (FO) field with the selective layer transport equations first proposed by Sherwood in 1967. The Sherwood model describes water flux as the sum of a solute-selective, diffusive component driven by the sum of osmotic pressure and hydraulic pressure differences, and a nonselective, convective component driven by hydraulic pressure difference only. This solution-diffusion with defects (SDWD) model and the solution-diffusion (SD) model were compared against data collected using polyamide thin-film-composite (PA-TFC) and integrally-skinned asymmetric cellulose triacetate (CTA) membranes, evaluated in various configurations. When tested with pure water on the porous support side and 1.5. M (π=72.7. bar) sodium chloride solution on the selective layer side, applying 1.25. bar of hydraulic pressure to the porous support side increased water flux by an order of magnitude for PA-TFC membranes, but had negligible effect on CTA membrane flux. These large flux variations can be explained by the SDWD model, but not the SD model. To confirm the existence of defects, a PA-TFC membrane was coated with a uniform, highly water-permeable, nonselective polymer. After coating to block convection through defects, the influence of hydraulic pressure on water flux through this membrane essentially disappeared. Water flux through these defects is low (<1% of total water flux for PA-TFC membranes) and of little consequence in practical FO or reverse osmosis (RO) applications. But in pressure-assisted forward osmosis (PAFO) or pressure-retarded osmosis (PRO), convective transport through defects affects the solute concentration difference across the membrane selective layer, increasing or decreasing water flux through defect-free regions. The presence of defects may explain why membrane power density in PRO is lower than that predicted based on

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

Science.gov (United States)

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.

Coherent quantum transport in disordered systems: II. Temperature dependence of carrier diffusion coefficients from the time-dependent wavepacket diffusion method

International Nuclear Information System (INIS)

Zhong, Xinxin; Zhao, Yi; Cao, Jianshu

2014-01-01

The time-dependent wavepacket diffusion method for carrier quantum dynamics (Zhong and Zhao 2013 J. Chem. Phys. 138 014111), a truncated version of the stochastic Schrödinger equation/wavefunction approach that approximately satisfies the detailed balance principle and scales well with the size of the system, is applied to investigate the carrier transport in one-dimensional systems including both the static and dynamic disorders on site energies. The predicted diffusion coefficients with respect to temperature successfully bridge from band-like to hopping-type transport. As demonstrated in paper I (Moix et al 2013 New J. Phys. 15 085010), the static disorder tends to localize the carrier, whereas the dynamic disorder induces carrier dynamics. For the weak dynamic disorder, the diffusion coefficients are temperature-independent (band-like property) at low temperatures, which is consistent with the prediction from the Redfield equation, and a linear dependence of the coefficient on temperature (hopping-type property) only appears at high temperatures. In the intermediate regime of dynamic disorder, the transition from band-like to hopping-type transport can be easily observed at relatively low temperatures as the static disorder increases. When the dynamic disorder becomes strong, the carrier motion can follow the hopping-type mechanism even without static disorder. Furthermore, it is found that the memory time of dynamic disorder is an important factor in controlling the transition from the band-like to hopping-type motions. (paper)

Relationship between defect density and charge carrier transport in amorphous and microcrystalline silicon

International Nuclear Information System (INIS)

Astakhov, Oleksandr; Carius, Reinhard; Finger, Friedhelm; Petrusenko, Yuri; Borysenko, Valery; Barankov, Dmytro

2009-01-01

The influence of dangling-bond defects and the position of the Fermi level on the charge carrier transport properties in undoped and phosphorous doped thin-film silicon with structure compositions all the way from highly crystalline to amorphous is investigated. The dangling-bond density is varied reproducibly over several orders of magnitude by electron bombardment and subsequent annealing. The defects are investigated by electron-spin-resonance and photoconductivity spectroscopies. Comparing intrinsic amorphous and microcrystalline silicon, it is found that the relationship between defect density and photoconductivity is different in both undoped materials, while a similar strong influence of the position of the Fermi level on photoconductivity via the charge carrier lifetime is found in the doped materials. The latter allows a quantitative determination of the value of the transport gap energy in microcrystalline silicon. The photoconductivity in intrinsic microcrystalline silicon is, on one hand, considerably less affected by the bombardment but, on the other hand, does not generally recover with annealing of the defects and is independent from the spin density which itself can be annealed back to the as-deposited level. For amorphous silicon and material prepared close to the crystalline growth regime, the results for nonequilibrium transport fit perfectly to a recombination model based on direct capture into neutral dangling bonds over a wide range of defect densities. For the heterogeneous microcrystalline silicon, this model fails completely. The application of photoconductivity spectroscopy in the constant photocurrent mode (CPM) is explored for the entire structure composition range over a wide variation in defect densities. For amorphous silicon previously reported linear correlation between the spin density and the subgap absorption is confirmed for defect densities below 10 18 cm -3 . Beyond this defect level, a sublinear relation is found i.e., not

Zirconium - ab initio modelling of point defects diffusion

International Nuclear Information System (INIS)

Gasca, Petrica

2010-01-01

Zirconium is the main element of the cladding found in pressurized water reactors, under an alloy form. Under irradiation, the cladding elongate significantly, phenomena attributed to the vacancy dislocation loops growth in the basal planes of the hexagonal compact structure. The understanding of the atomic scale mechanisms originating this process motivated this work. Using the ab initio atomic modeling technique we studied the structure and mobility of point defects in Zirconium. This led us to find four interstitial point defects with formation energies in an interval of 0.11 eV. The migration paths study allowed the discovery of activation energies, used as entry parameters for a kinetic Monte Carlo code. This code was developed for calculating the diffusion coefficient of the interstitial point defect. Our results suggest a migration parallel to the basal plane twice as fast as one parallel to the c direction, with an activation energy of 0.08 eV, independent of the direction. The vacancy diffusion coefficient, estimated with a two-jump model, is also anisotropic, with a faster process in the basal planes than perpendicular to them. Hydrogen influence on the vacancy dislocation loops nucleation was also studied, due to recent experimental observations of cladding growth acceleration in the presence of this element [fr

Recombination of charge carriers on radiation-induced defects in silicon doped by transition metals impurities

CERN Document Server

Kazakevich, L A

2003-01-01

It has been studied the peculiarities of recombination of nonequilibrium charge carriers on radiation-induced defects in received according to Czochralski method p-silicon (p approx 3 - 20 Ohm centre dot cm), doped by one of the impurities of transition metals of the IV-th group of periodic table (titanium, zirconium, hafnium). Experimental results are obtained out of the analysis of temperature and injection dependence of the life time of charge carriers. The results are explained taking into consideration the influences of elastic stress fields created by the aggregates of transition metals atoms on space distribution over the crystal of oxygen and carbon background impurities as well as on the migration of movable radiation-induced defects during irradiation. (authors).

Diffusion Mechanisms and Lattice Locations of Thermal-Equilibrium Defects in Si-Ge Alloys

CERN Multimedia

Lyutovich, K; Touboltsev, V; Laitinen, P O; Strohm, A

2002-01-01

It is generally accepted that Ge and Si differ considerably with respect to intrinsic-point-defect-mediated diffusion. In Ge, the native point defects dominating under thermal-equilibium conditions at all solid-state temperatures accessible in diffusion experiments are vacancies, and therefore Ge self-diffusion is vacancy-controlled. In Si, by contrast, self-interstitials and vacancies co-exist in thermal equilibrium. Whereas in the most thoroughly investigated temperature regime above about 1000$^\\circ$C Si self-diffusion is self-interstitial-controlled, it is vacancy-controlled at lower temperatures. According to the scenario displayed above, self-diffusion in Si-Ge alloys is expected to change from an interstitialcy mechanism on the Si side to a vacancy mechanism on the Ge side. Therefore, $^{71}$Ge self-diffusion experiments in Si$_{1- \\it y}$Ge$_{\\it y}$ as a function of composition Y are highly interesting. In a first series of experiments the diffusion of Ge in 0.4 to 10 $\\mu$m thick, relaxed, low-disl...

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

Science.gov (United States)

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.

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

Energy Technology Data Exchange (ETDEWEB)

Isoda, Taiga; Uematsu, Masashi; Itoh, Kohei M., E-mail: kitoh@appi.keio.ac.jp [School of Fundamental Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan)

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 based on this model have well reproduced the experimental {sup 30}Si profiles.

Hot carrier degradation in semiconductor devices

CERN Document Server

2015-01-01

This book provides readers with a variety of tools to address the challenges posed by hot carrier degradation, one of today’s most complicated reliability issues in semiconductor devices.  Coverage includes an explanation of carrier transport within devices and book-keeping of how they acquire energy (“become hot”), interaction of an ensemble of colder and hotter carriers with defect precursors, which eventually leads to the creation of a defect, and a description of how these defects interact with the device, degrading its performance. • Describes the intricacies of hot carrier degradation in modern semiconductor technologies; • Covers the entire hot carrier degradation phenomenon, including topics such as characterization, carrier transport, carrier-defect interaction, technological impact, circuit impact, etc.; • Enables detailed understanding of carrier transport, interaction of the carrier ensemble with the defect precursors, and an accurate assessment of how the newly created defects imp...

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Zaunbrecher, Katherine N. [Department of Physics, Colorado State University, Fort Collins, Colorado 80523 (United States); National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Kuciauskas, Darius; Dippo, Pat; Barnes, Teresa M. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Swartz, Craig H.; Edirisooriya, Madhavie; Ogedengbe, Olanrewaju S.; Sohal, Sandeep; Hancock, Bobby L.; LeBlanc, Elizabeth G.; Jayathilaka, Pathiraja A. R. D.; Myers, Thomas H. [Materials Science, Engineering and Commercialization Program, Texas State University, San Marcos, Texas 78666 (United States)

2016-08-29

Heterostructures with CdTe and CdTe{sub 1-x}Se{sub x} (x ∼ 0.01) absorbers between two wider-band-gap Cd{sub 1-x}Mg{sub x}Te barriers (x ∼ 0.25–0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects have a zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ∼6 μm, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 μs with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 μs.

The role of diffusion measurements in the study of crystal lattice defects

Energy Technology Data Exchange (ETDEWEB)

Kidson, G V

1965-07-15

Measurements of atomic mobility in solids are frequently of direct interest to those concerned with the design, development and utilization of materials in engineering. Increasing attention, however, is currently devoted to an under standing of such properties in terms of the occurrence and nature of point and line defects in the crystals. This paper reviews some recent diffusion studies conducted at C.R,N.L. that provide, in addition to data of interest in nuclear technology, a means of gaining some insight into the more fundamental nature of the lattice defects occurring in the materials. The systems discussed are (i) self diffusion in the high temperature phase of pure zirconium (ii) solute diffusion in lead and (iii) interdiffusion of aluminum and zirconium The unusual and at present incompletely understood results described in (i) are briefly reviewed. Evidence is given to suggest that diffusion occurs either through a dense dislocation network produced as a result of a martensitic phase transformation, or, alternatively, by excess vacancies introduced into the crystal by impurities. In (ii) the extraordinarily rapid diffusion of noble metal solutes in high purity lead single crystals will be discussed n terms of the state of solution of the solute atoms. It will be shown that their diffusion behaviour can be understood by assuming that a fraction f{sub i} of the dissolved solute atoms occupy interstitial sites, The measured diffusion coefficient D{sub m} is related to the interstitial diffusion coefficient by D{sub m} = f{sub i} D{sub i}. In (iii) the formation and rapid growth of single intermetallic compound ZrAl{sub 3} in the diffusion zone formed between pure zirconium and pure aluminum is described and the diffusion mechanism is interpreted in terms of the structure of the compound lattice. The results indicate that ZrAl{sub 3} forms a defect lattice, leading to the relatively rapid migration of aluminum atoms. (author)

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

Science.gov (United States)

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.

Towards reaction-diffusion computing devices based on minority-carrier transport in semiconductors

International Nuclear Information System (INIS)

Asai, Tetsuya; Adamatzky, Andrew; Amemiya, Yoshihito

2004-01-01

Reaction-diffusion (RD) chemical systems are known to realize sensible computation when both data and results of the computation are encoded in concentration profiles of chemical species; the computation is implemented via spreading and interaction of either diffusive or phase waves. Thin-layer chemical systems are thought of therefore as massively-parallel locally-connected computing devices, where micro-volume of the medium is analogous to an elementary processor. Practical applications of the RD chemical systems are reduced however due to very low speed of traveling waves which makes real-time computation senseless. To overcome the speed-limitations while preserving unique features of RD computers we propose a semiconductor RD computing device where minority carriers diffuse as chemical species and reaction elements are represented by p-n-p-n diodes. We offer blue-prints of the RD semiconductor devices, and study in computer simulation propagation phenomena of the density wave of minority carriers. We then demonstrate what computational problems can be solved in RD semiconductor devices and evaluate space-time complexity of computation in the devices

Diffusion of antimony in silicon in the presence of point defects

International Nuclear Information System (INIS)

Yu Xiangkun; Ma, K.B.; Chen, Q.Y.; Wang Xuemei; Liu Jiarui; Chu, W.-K.; Shao Lin; Thompson, Phillip E.

2007-01-01

We have investigated the diffusion of Sb in Si in the presence of defects injected by high-energy implantation of Si ions at room temperature. MeV ion implantation increases the concentrations of vacancies, which induce transient-enhanced diffusion of Sb deposited in Si. We observed a significant enhancement of Sb diffusion. Secondary ions mass spectroscopy has been performed on the implanted samples before and after annealing. Rutherford-backscattering spectrometry has been used to characterize the high-energy implantation damage. By fitting diffusion profiles to a linear diffusive model, information about atomic scale diffusion of Sb, i.e. the generation rate of mobile state Sb and its mean migration length were extracted

Anisotropic diffusion of point defects in a two-dimensional crystal of streptavidin observed by high-speed atomic force microscopy

International Nuclear Information System (INIS)

Yamamoto, Daisuke; Uchihashi, Takayuki; Kodera, Noriyuki; Ando, Toshio

2008-01-01

The diffusion of individual point defects in a two-dimensional streptavidin crystal formed on biotin-containing supported lipid bilayers was observed by high-speed atomic force microscopy. The two-dimensional diffusion of monovacancy defects exhibited anisotropy correlated with the two crystallographic axes in the orthorhombic C 222 crystal; in the 2D plane, one axis (the a-axis) is comprised of contiguous biotin-bound subunit pairs whereas the other axis (the b-axis) is comprised of contiguous biotin-unbound subunit pairs. The diffusivity along the b-axis is approximately 2.4 times larger than that along the a-axis. This anisotropy is ascribed to the difference in the association free energy between the biotin-bound subunit-subunit interaction and the biotin-unbound subunit-subunit interaction. The preferred intermolecular contact occurs between the biotin-unbound subunits. The difference in the intermolecular binding energy between the two types of subunit pair is estimated to be approximately 0.52 kcal mol -1 . Another observed dynamic behavior of point defects was fusion of two point defects into a larger defect, which occurred much more frequently than the fission of a point defect into smaller defects. The diffusivity of point defects increased with increasing defect size. The fusion and the higher diffusivity of larger defects are suggested to be involved in the mechanism for the formation of defect-free crystals

Atomic diffusion and point defects in crystals. Final report. Progress report, April 1, 1956--August 31, 1972

International Nuclear Information System (INIS)

Slifkin, L.M.

1972-01-01

Studies were made to elucidate the fundamental mechanisms of point defect transport in simple metals and in crystals of the silver halides. Experiments performed include: (a) effect of composition on diffusion in Ag-Au alloys and Ag-Cd alloys; (b) effect of a vacancy flux on diffusion; (c) diffusion of solutes in aluminum and its dilute alloys; (d) dislocation effects in Cu 3 Au; (e) role of electronic structure and ionic radius in diffusion of cations in AgCl; (f) effects of ionic radius on halide impurity ion diffusion in AgCl and AgBr; (g) production of excess point defects in AgCl by deformation and by quenching; (h) the kinetics of the pinning of dislocations by point defects in AgBr crystals. (auth)

Ultralong Radiative States in Hybrid Perovskite Crystals: Compositions for Submillimeter Diffusion Lengths

KAUST Repository

Alarousu, Erkki

2017-08-29

Organic-inorganic hybrid perovskite materials have recently evolved into the leading candidate solution-processed semiconductor for solar cells due to their combination of desirable optical and charge transport properties. Chief among these properties is the long carrier diffusion length, which is essential to optimizing the device architecture and performance. Herein, we used time-resolved photoluminescence (at low excitation fluence, 10.59 μJ·cm upon two-photon excitation), which is the most accurate and direct approach to measure the radiative charge carrier lifetime and diffusion lengths. Lifetimes of about 72 and 4.3 μs for FAPbBr and FAPbI perovskite single crystals have been recorded, presenting the longest radiative carrier lifetimes reported to date for perovskite materials. Subsequently, carrier diffusion lengths of 107.2 and 19.7 μm are obtained. In addition, we demonstrate the key role of the organic cation units in modulating the carrier lifetime and its diffusion lengths, in which the defect formation energies for FA cations are much higher than those with the MA ones.

Nucleation, growth and dissolution of extended defects in implanted Si: impact on dopant diffusion

International Nuclear Information System (INIS)

Claverie, A.; Giles, L.F.; Omri, M.; Mauduit, B. de; Ben Assayag, G.; Mathiot, D.

1999-01-01

Transient Enhanced Diffusion (TED) of boron in silicon is driven by the large supersaturations of self-interstitial silicon atoms left after implantation which also often lead to the nucleation and subsequent growth, upon annealing, of extended defects. In this paper we review selected experimental results and concepts concerning boron diffusion and/or defect behavior which have recently emerged with the ion implantation community and briefly indicate how they are, or will be, currently used to improve 'predictive simulations' softwares aimed at predicting TED. In a first part, we focus our attention on TED and on the formation of defects in the case of 'direct' implantation of boron in silicon. In a second part, we review our current knowledge of the defects and of the diffusion behavior of boron when annealing preamorphised Si. In a last part, we try to compare these two cases and to find out what are the reasons for some similarities and many differences in defect types and thermal evolution depending on whether boron is implanted in crystalline or amorphous silicon. While rising many more questions, we propose a 'thermodynamical' vision of the nucleation and growth of clusters and extended defects and stress the interactions between these defects and the free Si self-interstitial atoms which surround them and are the source for TED in all cases. A pragmatic approach to the simulation of TED for various experimental conditions is proposed

Reduced folate carrier polymorphism (80A-->G) and neural tube defects.

Science.gov (United States)

De Marco, Patrizia; Calevo, Maria Grazia; Moroni, Anna; Merello, Elisa; Raso, Alessandro; Finnell, Richard H; Zhu, Huiping; Andreussi, Luciano; Cama, Armando; Capra, Valeria

2003-03-01

Transport of folates in mammalian cells occurs by a carrier-mediated mechanism. The human folate carrier (RFC-1) gene has been isolated and characterized. Within this gene, a common polymorphism, 80A-->G, changing a histidine to an arginine in exon 2 (H27R), was recently identified. Defects in folate metabolism, such as defective carrier molecules, could be implicated in the etiology of neural tube defects (NTDs). In the present case-control study, we recruited 174 Italian probands with nonsyndromic NTD, 43 mothers, 53 fathers and 156 control individuals and evaluated the impact of RFC-1 variant on NTD risk. A statistically significant risk was calculated for the 80GG genotype of the NTD cases (OR=2.35; 95% CI 1.21-4.58) and mothers (OR=2.74; 95% CI 0.92-8.38). On the contrary, the heterozygous genotype of the mothers and both heterozygous and homozygous genotypes of the fathers did not seem to be significant NTD risk factors. Furthemore, according to the multifactorial inheritance of NTDs, we demonstrated that the combined genotypes for MTHFR 1298A-->C and RFC-1 80A-->G polymorphisms of cases resulted in greater NTD risk than heterozygosity or homozygosity for RFC-1 80A-->G variant alone. Conversely, our data provide no evidence for an association between NTD phenotype and combined MTHFR C677T/RFC-1 A80G genotypes. Moreover, here we describe the combinations of the two MTHFR polymorphic sites (677CT and 1298AC) with RFC-1 genotypes. We found that both patients and controls could have at most quadruple-mutation combinations. Interestingly, 27% (7/26) of the mothers and 18.75% (30/160) of the cases genotyped presented four mutant alleles in comparison with 8.5% (11/129) of the controls. Finally, the frequency of NTD cases and mothers carrying combined heterozygosity for the two MTHFR polymorphisms and RFC-1 80GG homozygosity (677CT/1298AC/80GG) (cases=11.3%; mothers 11.5%) was increased compared with controls (1.6%). Altogether, our findings support the hypothesis

Defect-Mediated Lithium Adsorption and Diffusion on Monolayer Molybdenum Disulfide

OpenAIRE

Sun, Xiaoli; Wang, Zhiguo; Fu, Yong Qing

2015-01-01

Monolayer Molybdenum Disulfide (MoS2) is a promising anode material for lithium ion batteries because of its high capacities. In this work, first principle calculations based on spin density functional theory were performed to investigate adsorption and diffusion of lithium on monolayer MoS2 with defects, such as single- and few-atom vacancies, antisite, and grain boundary. The values of adsorption energies on the monolayer MoS2 with the defects were increased compared to those on the pristin...

Impurity diffusion, point defect engineering, and surface/interface passivation in germanium

KAUST Repository

Chroneos, Alexander I.

2012-01-26

In recent years germanium has been emerging as a mainstream material that could have important applications in the microelectronics industry. The principle aim of this study is to review investigations of the diffusion of technologically important p- and n-type dopants as well as surface and interface passivation issues in germanium. The diffusion of impurities in germanium is interrelated to the formation of clusters whenever possible, and possibilities for point defect engineering are discussed in view of recent results. The importance of electrically active defects on the Ge surface and interfaces is addressed considering strategies to suppress them and to passivate the surfaces/interfaces, bearing in mind their importance for advanced devices. © 2012 by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of deep impurities and structural defects in polycrystalline silicon for photovoltaic applications

International Nuclear Information System (INIS)

Galluzzi, F.; Scafe, E.; Beghi, M.; Fossati, S.; Tincani, M.; Pizzini, S.

1985-01-01

An extensive experimental study of minority carrier recombination in CZ grown polycrystalline silicon intentionally doped with metallic impurities (Ti, V, Fe, Cr, Zr) is reported. Experimental values of average diffusion lengths have been compared with values calculated by a simple model of carrier recombination, taking into account the effects of impurities, grain boundaries and intragrain crystal defects. The results are fairly consistent and allow the determination of threshold densities for structural defects and deep impurities. The author's analysis gives a simple quantitative description of recombination processes in solar-grade silicon, as far as the average behaviour is concerned

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

Science.gov (United States)

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.

{311} Defects in ion-implanted silicon: The cause of transient diffusion, and a mechanism for dislocation formation

International Nuclear Information System (INIS)

Eaglesham, D.J.; Stolk, P.A.; Cheng, J.Y.; Gossmann, H.J.; Poate, J.M.; Haynes, T.E.

1995-04-01

Ion implantation is used at several critical stages of Si integrated circuit manufacturing. The authors show how {311} defects arising after implantation are responsible for both enhanced dopant diffusion during annealing, and stable dislocations post-anneal. They observe {311} defects in the earliest stages of an anneal. They subsequently undergo rapid Ostwald ripening and evaporation. At low implant doses evaporation dominates, and they can quantitatively relate the interstitials emitted from these defects to the transient enhancement in diffusivity of dopants such as B and P. At higher doses Ostwald ripening is significant, and they observe the defects to undergo a series of unfaulting reactions to form both Frank loops and perfect dislocations. They demonstrate the ability to control both diffusion and dislocations by the addition of small amounts of carbon impurities

Point defects and diffusion in alloys: correlation effects

International Nuclear Information System (INIS)

Barbe, Vincent

2006-01-01

Kinetic models in alloys aim at predicting the transport properties of a system starting from the microscopic jump frequencies of defects. Such properties are of prior importance in systems which stay out of equilibrium for a long time, as for example irradiated alloys in nuclear reactors. We hereby propose several developments of the recent self-consistent mean field (SCMF) kinetic theory, which deals particularly with the correlation effects due to the coupling of atomic and defect fluxes. They are taken into account through a non-equilibrium distribution function of the system, which is derived from the time evolution of small clusters (of two or more atoms or defects). We therefore introduce a set of 'dynamic' interactions called effective Hamiltonian. The SCMF theory is extended to treat high jump frequency ratios for the vacancy mechanism, as well as the transport through interstitial defects. We use in both cases an atomic model which accounts for the thermodynamic properties of the alloy, as e.g. the short-range order. Those models are eventually applied to predict the diffusion properties in two model alloys of nuclear interest: the concentrated Fe-Ni-Cr solid solution and the dilute Fe(P) alloy. We present adapted atomic models and compare our predictions to experimental data. (author)

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

Science.gov (United States)

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.

Defects and diffusion, theory and simulation an annual retrospective I

CERN Document Server

Fisher, David J

2009-01-01

This first volume, in a new series covering entirely general results in the fields of defects and diffusion, includes abstracts of papers which appeared between the beginning of 2008 and the end of October 2009 (journal availability permitting).This new series replaces the 'general' section which was previously part of each issue of the Metals, Ceramics and Semiconductor retrospective series. As well as 356 abstracts, the volume includes original papers on all of the usual material groups: ""Predicting Diffusion Coefficients from First Principles via Eyring's Reaction Rate Theory"" (Mantina, C

Hybrid Perovskites for Photovoltaics: Charge-Carrier Recombination, Diffusion, and Radiative Efficiencies.

Science.gov (United States)

Johnston, Michael B; Herz, Laura M

2016-01-19

values extracted from OPTP measurements and their dependence on perovskite composition and morphology. The significance of the reviewed charge-carrier recombination and mobility parameters is subsequently evaluated in terms of the charge-carrier diffusion lengths and radiative efficiencies that may be obtained for such hybrid perovskites. We particularly focus on calculating such quantities in the limit of ultra-low trap-related recombination, which has not yet been demonstrated but could be reached through further advances in material processing. We find that for thin films of hybrid lead iodide perovskites with typical charge-carrier mobilities of ∼30cm(2)/(V s), charge-carrier diffusion lengths at solar (AM1.5) irradiation are unlikely to exceed ∼10 μm even if all trap-related recombination is eliminated. We further examine the radiative efficiency for hybrid lead halide perovskite films and show that if high efficiencies are to be obtained for intermediate charge-carrier densities (n ≈ 10(14) cm(-3)) trap-related recombination lifetimes will have to be enhanced well into the microsecond range.

Generalization of the Nernst-Einstein equation for self-diffusion in high-defect-concentration solids

International Nuclear Information System (INIS)

McKee, R.A.

1981-01-01

It is shown that the Nernst-Einstein equation can be generalized for a high defect concentration solid to relate the mobility or conductivity to the self-diffusion coefficient. This relationship is derived assuming that the diffusing particles interact strongly and that the mobility is concentration-dependent. It is derived for interstitial disordered structures, but it is perfectly general to any mechanism of self diffusion as long as diffusion in a pure system is considered

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

Science.gov (United States)

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.

Electron microscopy characterization of a molybdenum diffusion barrier in metallizations for chip carriers

International Nuclear Information System (INIS)

He Anqiang; Ivey, Douglas G.

2004-01-01

Mo layers have been studied as potential diffusion barriers for Au-Sn solder bonds in micro/optoelectronic device packaging. Solder was electroplated as alternating AuSn and Au 5 Sn multi-layers on wafers covered with Ti as an adhesion layer, followed by Mo as the diffusion barrier and Au as a capping layer. Samples were annealed at 340-420 deg. C for as long as 20 min. Scanning and transmission electron microscopy (SEM and TEM) were utilized to characterize interfacial reactions. Mo was found to be metallurgically stable, relative to the Au-Sn solder and the other metallization components, at temperatures up to at least 420 deg. C. However, the effectiveness of Mo as a barrier can be compromised by two factors. One of these is related to surface roughness associated with AlN or Al 2 O 3 carriers. Non-uniform metallization coverage can lead to breaks in the Mo barrier, resulting in contact between the carrier and molten solder during bonding applications. In addition, thermal stresses generated during heating and cooling can lead to cracking and spalling of the Mo and adhesion layers, exposing the carrier material to molten solder. Pre-annealing can help to relieve the thermal stresses and prevent spalling

Effects of Defects on Hydrogen Diffusion in NbC

Energy Technology Data Exchange (ETDEWEB)

Salehinia, Iman, E-mail: isalehinia@niu.edu [Department of Mechanical Engineering, Northern Illinois University, DeKalb, IL 60115 (United States); Mastorakos, Ioannis [Department of Mechanical and Aeronautical Engineering, Clarkson University, Potsdam, NY 13699 (United States); Zbib, Hussein M. [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164 (United States)

2017-04-15

Highlights: • MD simulations are used to study the effects of defects on the H diffusion in NbC. • Buckingham potential is more accurate for diffusion of H atoms than LJ potential. • H diffusion coefficient (D) increases with carbon vacancy concentration. • H diffusion coefficient for 6 Å pore (radius = 6 Å) is as high as that for 20 Å pore. • For small pores, H diffusion coefficient drops notably at elevated temperatures. - Abstract: Exceptional mechanical and physical properties of transition metal carbides and nitrides make them good coating-material candidates for extreme corrosive environments such as oil and natural gas wells. However, existence of small pores, pinholes and columnar structures of these ceramics significantly affect their resistance to corrosion, as pore sites would accelerate the diffusion of corrosive media into the substrate. In this research, molecular dynamics atomistic simulations are employed to investigate the effects of the isolated vacancies and the columnar structure on the diffusion rate of H atoms in NbC single crystal at various temperatures. Diffusion coefficient (D) of H atoms in NbC increased with C vacancy concentration. At elevated temperatures, the trapping effect of Nb vacancies is less effective when C vacancies are also present, as H atoms gain enough energy to jump back and forth between the C vacancies. Atomistic simulations also showed a jump in diffusion coefficient for cylindrical pore size of larger than 3 Å radius. Furthermore, D increased monotonically with temperature up to 1000 K in the presence of cylindrical pores. Further increase in temperature resulted in a drop in the diffusion coefficient for small pores while the large pores only showed a lower increasing trend in diffusion coefficient with the temperature.

Diffusive charge transport in graphene

Science.gov (United States)

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.

Influence of oxygen partial pressure on defect concentrations and on oxygen diffusion in UO2+x

International Nuclear Information System (INIS)

Pizzi, Elisabetta

2013-01-01

The hyper-stoichiometric uranium dioxide (UO 2+x ) is stable over a wide range of temperature and compositions. Such variations of composition and the eventual presence of doping elements or impurities lead to a variation of anionic and electronic defect concentrations. Moreover, many properties of this material are affected by its composition modifications, in particular their atomic transport properties. Firstly we developed a point defect model to evaluate the dependence of the electronic and oxygen defect concentrations upon temperature, equilibrium oxygen partial pressure and impurity content. The physical constants of the model, in particular the equilibrium constants of the defect formation reactions were determined from deviation from stoichiometry and electrical conductivity measurements of literature. This work enabled us to interpret our measures of conductivity, oxygen chemical and self- diffusion coefficients. From a quantitative standpoint, the analysis of our experimental results allows to evaluate the oxygen interstitial diffusion coefficient but also its formation energy. Moreover, an estimate of oxygen di-interstitial formation energy is also provided. Presence of oxygen clusters leads oxygen self- and chemical diffusion to decrease. X-ray Absorption Spectroscopy characterization shows the presence of the same defect in the entire deviation from stoichiometry studied, confirming the approach used to develop the model. (author) [fr

Carrier diffusion in low-dimensional semiconductors. a comparison of quantum wells, disordered quantum wells, and quantum dots

NARCIS (Netherlands)

Fiore, A.; Rossetti, M.; Alloing, B.; Paranthoën, C.; Chen, J.X.; Geelhaar, L.; Riechert, H.

2004-01-01

We present a comparative study of carrier diffusion in semiconductor heterostructures with different dimensionality [InGaAs quantum wells (QWs), InAs quantum dots (QDs), and disordered InGaNAs QWs (DQWs)]. In order to evaluate the diffusion length in the active region of device structures, we

MO-G-BRF-07: Anomalously Fast Diffusion of Carbon Nanotubes Carriers in 3D Tissue Model

International Nuclear Information System (INIS)

Wang, Y; Bahng, J; Kotov, N

2014-01-01

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 in 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

MO-G-BRF-07: Anomalously Fast Diffusion of Carbon Nanotubes Carriers in 3D Tissue Model

Energy Technology Data Exchange (ETDEWEB)

Wang, Y; Bahng, J; Kotov, N [University of Michigan, Ann Arbor, MI (United States)

2014-06-15

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 in 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

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

Science.gov (United States)

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.

Defect enhanced diffusion process and hydrogen delayed fracture in high strength steels

International Nuclear Information System (INIS)

Lung, C.W.; Mu Zaiqin.

1985-10-01

A defect enhanced diffusion model for hydrogen delayed fracture in high strength steels is suggested. It is shown that the rate of crack growth is dependent on the square or higher power of the stress intensity factor which is consistent with recent experiments. (author)

First-Principles Investigation of Adsorption and Diffusion of Ions on Pristine, Defective and B-doped Graphene

Directory of Open Access Journals (Sweden)

Wei Wan

2015-09-01

Full Text Available We performed first-principles calculations to reveal the possibility of applying pristine, defective, and B-doped graphene in feasible negative electrode materials of ion batteries. It is found that the barriers for ions are too high to diffuse through the original graphene, however the reduced barriers are obtained by introducing defects (single vacancy, double vacancy, Stone–Wales defect in the graphene. Among the three types of defects, the systems with a double vacancy could provide the lowest barriers of 1.49 and 6.08 eV for Li and Na, respectively. Furthermore, for all kinds of B-doped graphene with the vacancy, the systems with a double vacancy could also provide the lowest adsorption energies and diffusion barriers. Therefore, undoped and B-doped graphene with a double vacancy turn out to be the most promising candidates that can replace pristine graphene for anode materials in ion batteries.

Diffusion length of minority carriers in scanning electron beam annealed silicon

International Nuclear Information System (INIS)

Smith, H.J.; Cilliers, R.; Bontemps, A.

1982-01-01

Ion implantation has advantages for solar cell production, but necessitates an annealing step. Various new transitory annealing methods have appeared recently. A particularly attractive method is multi-scan electron beam annealing of thermally isolated wafers. Energy is applied homogeneously over the whole target surface and the temperature rises throughout the thickness. Backscattering analysis shows good recrystallization in seconds. However the effect of this total heating on the diffusion length (Lsub(D)) must be investigated particularly in view of the degradation of Lsub(D) due to high temperature oven annealing. The semiconductor-electrolyte diode method was set up to measure the current generated in the cell due to the creation and diffusion of carriers in the silicon under photon irradiation. Comparison with a theoretical model yields Lsub(D). It appears that 3mA.cm - 2 of 15keV electrons recrystallizes damage in 2.5 seconds and does not decrease Lsub(D) in the bulk. In 4 seconds the Lsub(D) decreases and dopant diffusion occurs. On technical grounds this method can thus be applied for solar cell production. (Auth.)

Self-defects and self diffusion in a silica glass: a first-principles study; Etude ab-initio des auto-defauts et des mecanismes d'auto-diffusion dans un verre de silice

Energy Technology Data Exchange (ETDEWEB)

Martin, L.; Colomer, S

2004-11-15

SiO{sub 2} and silica based compounds are key materials in a variety of scientific and technological fields as, for instance, in microelectronics or nuclear technology. In all these fields, one of the still open questions is their long term aging in a radioactive environment. Due to the complexity of the effects of radiations upon matter, the understanding of the long term aging needs the knowledge of diffusion mechanisms at the atomic scale. In that context, numerical modelling appears as a way to access this scale. We present a first principles study on self-defects and self-diffusion in a silica model. As expected, at variance with SiO{sub 2} crystalline phases, the defects formation energies are distributed, due to the non-equivalence of defects sites. We prove that the formation energy dispersion is correlated to the local stress. Concerning the equilibrium concentrations and oxygen diffusion mechanism, we discuss how the shape of the distribution, as well as impurity levels within the gap, play a main role in the dominance of defect types. Finally we present the main oxygen diffusion mechanism in homogeneous and heterogeneous defect formation regime. (author)

Diffusion and aggregation of subsurface radiation defects in lithium fluoride nanocrystals

Science.gov (United States)

Voitovich, A. P.; Kalinov, V. S.; Martynovich, E. F.; Stupak, A. P.; Runets, L. P.

2015-09-01

Lithium fluoride nanocrystals were irradiated by gamma rays at a temperature below the temperature corresponding to the mobility of anion vacancies. The kinetics of the aggregation of radiation-induced defects in subsurface layers of nanocrystals during annealing after irradiation was elucidated. The processes that could be used to determine the activation energy of the diffusion of anion vacancies were revealed. The value of this energy in subsurface layers was obtained. For subsurface layers, the concentrations ratio of vacancies and defects consisting of one vacancy and two electrons was found. The factors responsible for the differences in the values of the activation energies and concentration ratios in subsurface layers and in the bulk of the crystals were discussed.

Minority carrier diffusion length extraction in Cu2ZnSn(Se,S)4 solar cells

Science.gov (United States)

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.

Tritium diffusion in polycrystalline lithium tungstate

International Nuclear Information System (INIS)

Krutyakov, A.N.; Shadrin, A.A.; Saunin, E.I.; Gromov, V.V.; Shafiev, A.I.

1984-01-01

Using radiometric method the investigation of tritium separation from neutron irradiated (neutron flux density 1.2x10 13 n/cm 2 xs) polycrystalline Li 2 WO 4 in the temperature range 200-680 deg C has been carried out. It is established that the use of helium as gas-carrier of flow-type gas-discharge counter permits to conduct continuous stable measurements of concentrations of tritium extracted depending on its chemical state. It is shown that volume diffusion is the process, limiting tritiated particle separation rate from Li 2 WO 4 . It is found that the process of tritium volume diffusion in Li 2 WO 4 corresponds to two different mechanisms respectively in low- (200-300 deg C) and high-temperature (350-680 deg C) ranges. A supposition is made that in the low-temperature range the process of diffusion is conditioned by the dissociation of the radiation defect-tritiated particle complex, which is confirmed by the data on radiation defect annealing in Li 2 WO 4 . The value of activation energy of tritium separation process in the range 350-680 deg C, proved to be equal to 13.3 kJ/mol. Possible role of crystal structure peculiarities of Li 2 WO 4 for diffusion process is pointed out

Oxygen potentials, oxygen diffusion coefficients and defect equilibria of nonstoichiometric (U,Pu)O{sub 2±x}

Energy Technology Data Exchange (ETDEWEB)

Kato, Masato, E-mail: kato.masato@jaea.go.jp [Fukushima Fuels and Materials Department, Japan Atomic Energy Agency, 4002 Narita-chou, O-arai machi, Ibaraki 311-1919 (Japan); Fast Reactor Fuel Cycle Technology Development Division, Japan Atomic Energy Agency, 4-33 Muramatsu Tokai-mura, Ibaraki 319-1194 (Japan); Watanabe, Masashi [Fukushima Fuels and Materials Department, Japan Atomic Energy Agency, 4002 Narita-chou, O-arai machi, Ibaraki 311-1919 (Japan); Fast Reactor Fuel Cycle Technology Development Division, Japan Atomic Energy Agency, 4-33 Muramatsu Tokai-mura, Ibaraki 319-1194 (Japan); Matsumoto, Taku; Hirooka, Shun; Akashi, Masatoshi [Fast Reactor Fuel Cycle Technology Development Division, Japan Atomic Energy Agency, 4-33 Muramatsu Tokai-mura, Ibaraki 319-1194 (Japan)

2017-04-15

Oxygen potential of (U,Pu)O{sub 2±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)O{sub 2±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. - Highlights: •Brouwer’s diagrams for (U,Pu)O2 were constructed using the updated oxygen potential experimental data set. •Equilibrium constants of defect formation were determined as functions of Pu content and temperature. •Oxygen potential, oxygen diffusion coefficients, point defect concentration were described as functions of O/M ratio, Pu content and temperature.

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

Science.gov (United States)

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.

Enhanced diffusion of solute metals forming complexes with radiation defects in silica

International Nuclear Information System (INIS)

Pivin, J.C.; Garrido, E.; Rizza, G.; Thome, L.

1998-01-01

The mixing kinetics of Cu, Ag, W, Pt, and Au single layers embedded in silica when irradiated with heavy ions at temperatures (T) of 110 and 300 K was investigated by means of in situ RBS analyses in alternation with irradiations. The spreading of peaks related to the metallic species is generally anisotropic and obeys either a quadratic or a linear dependence on the ion dose according to the increasing T. The quadratic law is attributed to a control of the diffusion by the coupling of the large impurity atoms M with matrix defects, and a classical regime of radiation enhanced diffusion is observed when this coupling is made easier (higher T or mass of M). Other factors such as internal stresses affect the rates of M dissolution and diffusion. (orig.)

Defect-based graphene nanoribbon photodetectors: A numerical study

Energy Technology Data Exchange (ETDEWEB)

Zarei, M. H.; Sharifi, M. J., E-mail: m-j-sharifi@sbu.ac.ir [Department of Electrical Engineering, Shahid Beheshti University, Tehran 1983963113 (Iran, Islamic Republic of)

2016-06-07

Recently, some photodetectors based on graphene have been proposed. In all of these works, current generation was carried out by separation of photo-excited carriers using an electric field, either internal or external. In this work, a new method of producing current which is based on different transmission coefficients for electrons and holes when they travel toward any of the two contacts is proposed. To this end, a single Stone–Wales defect close to one of the two contacts was used to break the channel symmetry. In order to confirm the idea, the non-equilibrium Green's function formalism in real space in conjunction with the tight binding method was used in simulations. In addition, to clarify the results, we present a classical model in which different diffusion constants are assumed for the left going and the right going carriers. Additional simulations for different positions of the defect, different lengths of the ribbon, and different bias voltages were performed, and the results are included in this study.

Charge mobility modification of semiconducting carbon nanotubes by intrinsic defects

International Nuclear Information System (INIS)

Bai, Hongcun; Ma, Yujia; Ma, Jinsuo; Mei, Jingnan; Tong, Yan; Ji, Yongqiang

2017-01-01

Charge carrier mobility is a central transport property in nanoscale electronics. Carbon nanotubes (CNTs) are supposed to have high carrier mobility. The preparation methods of CNTs have been greatly improved, but the defects always exist. This work presented first-principle investigations on the charge carrier mobility of carbon nanotubes containing several intrinsic defects. The charge carrier mobilities of zigzag (10, 0) tubes with Stone–Wales, mono vacant and 5/8/5 defects were studied as an example to explore the role of defects. Most carrier mobilities were decreased, but several values of mobility are unexpectedly increased upon the appearance of the defects. This interesting result is discussed based on the changes of the stretching modulus, the effective mass of the carrier and deformation potential constant induced by the defects. (paper)

Effect of radiation induced defects and incompatibility elastic stresses on the diffusion of ion implantated boron in silicon at the pulse annealing

International Nuclear Information System (INIS)

Stel'makh, V.F.; Suprun-Belevich, Yu.R.; Chelyadinskij, A.R.

1987-01-01

For determination of radiation defects effect on diffusion of the implanted boron in silicon at the pulse annealing, silicon crystals, implanted with boron, preliminary irradiated by silicon ions of different flows for checked defects implantation, were investigated. Silicon crystals additionally implanted by Ge + ions were investigated to research the effect of the incompatibility elastic stresses, emerging in implanted structures due to lattice periods noncoincidence in matrix and alloyed layers, on implanted boron diffusion. It is shown, that abnormally high values of boron diffusion coefficients in silicon at the pulse annealing are explained by silicon interstitial atom participation in redistribution of diffusing boron atoms by two diffusion channels - interstitial and vacation - and by incompatibility elastic stresses effect on diffusion

X-ray diffuse scattering effects from Coulomb-type defects in multilayered structures

International Nuclear Information System (INIS)

Olikhovskii, S.I.; Molodkin, V.B.; Skakunova, E.S.; Kislovskii, E.N.; Fodchuk, I.M.

2009-01-01

The theoretical X-ray diffraction model starting from Takagi-Taupin equation has been developed for the description of coherent and diffuse components of the rocking curve (RC) measured from the multilayered crystal structure with randomly distributed Coulomb-type defects in all the layers and substrate. The model describes both diffuse scattering (DS) intensity distribution and influence of DS on attenuation and angular redistribution of the coherent X-ray scattering intensity. By analyzing the total measured RC with using the proposed diffraction model, the chemical compositions, strains, and characteristics of dislocation loops in layers and substrate of the multilayered structure with InGaAsN/GaAs single quantum well have been determined. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

A voxel-based morphometry and diffusion tensor imaging analysis of asymptomatic Parkinson's disease-related G2019S LRRK2 mutation carriers.

Science.gov (United States)

Thaler, Avner; Artzi, Moran; Mirelman, Anat; Jacob, Yael; Helmich, Rick C; van Nuenen, Bart F L; Gurevich, Tanya; Orr-Urtreger, Avi; Marder, Karen; Bressman, Susan; Bloem, Bastiaan R; Hendler, Talma; Giladi, Nir; Ben Bashat, Dafna

2014-05-01

Patients with Parkinson's disease have reduced gray matter volume and fractional anisotropy in both cortical and sub-cortical structures, yet changes in the pre-motor phase of the disease are unknown. A comprehensive imaging study using voxel-based morphometry and diffusion tensor imaging tract-based spatial statistics analysis was performed on 64 Ashkenazi Jewish asymptomatic first degree relatives of patients with Parkinson's disease (30 mutation carriers), who carry the G2019S mutation in the leucine-rich repeat kinase 2 (LRRK2) gene. No between-group differences in gray matter volume could be noted in either whole-brain or volume-of-interest analysis. Diffusion tensor imaging analysis did not identify group differences in white matter areas, and volume-of-interest analysis identified no differences in diffusivity parameters in Parkinson's disease-related structures. G2019S carriers do not manifest changes in gray matter volume or diffusivity parameters in Parkinson's disease-related structures prior to the appearance of motor symptoms. © 2014 International Parkinson and Movement Disorder Society.

Determination of carrier diffusion length in p- and n-type GaN

Science.gov (United States)

Hafiz, Shopan; Metzner, Sebastian; Zhang, Fan; Monavarian, Morteza; Avrutin, Vitaliy; Morkoç, Hadis; Karbaum, Christopher; Bertram, Frank; Christen, Jürgen; Gil, Bernard; Özgür, Ümit

2014-03-01

Diffusion lengths of photo-excited carriers along the c-direction were determined from photoluminescence (PL) 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 1300 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 photogeneration near the surface region by above bandgap excitation. Taking into consideration the absorption in the active and underlying layers, the diffusion lengths at 295 K and at 15 K were measured to be about 92 ± 7 nm and 68 ± 7 nm for Mg-doped p-type GaN and 432 ± 30 nm and 316 ± 30 nm for unintentionally doped n-type GaN, respectively. Cross-sectional cathodoluminescence line-scan measurement was performed on a separate sample and the diffusion length in n-type GaN was measured to be 280 nm.

Cigarette smoking and pulmonary diffusion defects in rheumatoid arthritis.

Science.gov (United States)

Westedt, M L; Hazes, J M; Breedveld, F C; Sterk, P J; Dijkman, J H

1998-01-01

The pathogenesis of lung disease in rheumatoid arthritis (RA) has still to be defined. Risk factors associated with lung involvement in RA were investigated by means of pulmonary function studies in 40 RA patients without apparent lung disease. A decreased carbon monoxide (CO) diffusion capacity indicative of interstitial lung disease (ILD) was the main pulmonary function defect found in the first 20 patients. The occurrence was associated with current cigarette smoking. This association was confirmed in a case control study performed subsequently. These data suggest that ILD in RA is stimulated by smoking and provide an additional argument that modification of smoking behaviour in RA patients might lead to less severe complications.

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

Energy Technology Data Exchange (ETDEWEB)

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.; Shin, S. J.; Shao, L.; Kucheyev, S. O.

2017-01-06

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.

Effects of high-dose hydrogen implantation on defect formation and dopant diffusion in silver implanted ZnO crystals

Energy Technology Data Exchange (ETDEWEB)

Yaqoob, Faisal [Department of Physics, State University of New York at Albany, Albany, New York 12222 (United States); Huang, Mengbing, E-mail: mhuang@sunypoly.edu [College of Nanoscale Science and Engineering, State University of New York Polytechnic Institute, Albany, New York 12203 (United States)

2016-07-28

This work reports on the effects of a deep high-dose hydrogen ion implant on damage accumulation, defect retention, and silver diffusion in silver implanted ZnO crystals. Single-crystal ZnO samples were implanted with Ag ions in a region ∼150 nm within the surface, and some of these samples were additionally implanted with hydrogen ions to a dose of 2 × 10{sup 16 }cm{sup −2}, close to the depth ∼250 nm. Rutherford backscattering/ion channeling measurements show that crystal damage caused by Ag ion implantation and the amount of defects retained in the near surface region following post-implantation annealing were found to diminish in the case with the H implantation. On the other hand, the additional H ion implantation resulted in a reduction of substitutional Ag atoms upon post-implantation annealing. Furthermore, the presence of H also modified the diffusion properties of Ag atoms in ZnO. We discuss these findings in the context of the effects of nano-cavities on formation and annihilation of point defects as well as on impurity diffusion and trapping in ZnO crystals.

Ultrafast carrier dynamics in tetrahedral amorphous carbon: carrier trapping versus electron-hole recombination

International Nuclear Information System (INIS)

Carpene, E; Mancini, E; Dallera, C; Schwen, D; Ronning, C; Silvestri, S De

2007-01-01

We report the investigation of the ultrafast carrier dynamics in thin tetrahedral amorphous carbon films by means of femtosecond time-resolved reflectivity. We estimated the electron-phonon relaxation time of a few hundred femtoseconds and we observed that under low optical excitation photo-generated carriers decay according to two distinct mechanisms attributed to trapping by defect states and direct electron-hole recombination. With high excitation, when photo-carrier and trap densities are comparable, a unique temporal evolution develops, as the time dependence of the trapping process becomes degenerate with the electron-hole recombination. This experimental evidence highlights the role of defects in the ultrafast electronic dynamics and is not specific to this particular form of carbon, but has general validity for amorphous and disordered semiconductors

Minority carrier diffusion lengths and absorption coefficients in silicon sheet material

Science.gov (United States)

Dumas, K. A.; Swimm, R. T.

1980-01-01

Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.

Total diffusing power of perturbed lattices and dissymmetry of reflections. Case of groups of defects

International Nuclear Information System (INIS)

Tournarie, Max

1959-01-01

The total diffusing power for a crystallite of any form containing a centrosymmetric defect has been established. The antisymmetrical part of the deformation potential only contributes very slightly to the primary dissymmetry. We then go on to study the case of a group of defects of the same type. The calculation converges sufficiently to describe the thermal agitation of an infinite crystal. Reprint of a paper published in 'Comptes Rendus des Seances de l'Academie des Sciences', t. 248, p. 2103-2105, sitting of April 6, 1959 [fr

Point defects in solids

International Nuclear Information System (INIS)

Anon.

1978-01-01

The principal properties of point defects are studied: thermodynamics, electronic structure, interactions with etended defects, production by irradiation. Some measuring methods are presented: atomic diffusion, spectroscopic methods, diffuse scattering of neutron and X rays, positron annihilation, molecular dynamics. Then points defects in various materials are investigated: ionic crystals, oxides, semiconductor materials, metals, intermetallic compounds, carbides, nitrides [fr

Cascade defect production and irradiation enhanced diffusion in Cu3Au

International Nuclear Information System (INIS)

Kirk, M.A.; Funk, L.L.

1986-03-01

By using the ordering alloy Cu 3 Au and measuring resistivity changes during and following fast-neutron irradiations at IPNS, we have studied cascade defect production and irradiation enhanced diffusion between 10 and 460 0 K. Ordering and disordering rates were measured as functions of irradiation temperature, neutron dose, neutron dose rate, time following cessation of flux, and step annealing. Free and clustered vacancy production was observed. The temperature dependence of the production of total migrating vacancy concentrations was determined. Vacancy sink production was linear with neutron dose and is compared with recent transmission electron microscopy experiments on the production of dislocation loops in this alloy. Time dependent and quasi-steady state vacancy concentrations were measured and compared with solutions of reaction rate equations for irradiation enhanced diffusion. The influence of recombination of vacancies with interstitials is observed at low sink concentrations (low neutron doses)

Metastable defect response in CZTSSe from admittance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Koeper, Mark J.; Hages, Charles J.; Li, Jian V.; Levi, Dean; Agrawal, Rakesh

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 device 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.

Extended defects and hydrogen interactions in ion implanted silicon

Science.gov (United States)

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 (TED at low 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

Oxygen defects in Fe-substituted Tl-system superconductors

Institute of Scientific and Technical Information of China (English)

李阳; 曹国辉; 王耘波; 马庆珠; 熊小涛; 陈宁; 马如璋; 郭应焕; 许祝安; 王劲松; 张小俊; 焦正宽; 彭获田; 周思海

1996-01-01

For Fe-doped T1-1223 phase,the excess oxygen defects induced by Fe dopants are studied by means of Hall coefficient,thermogravimetric measurements,Mossbauer spectroscopy,and the model calculation of the effective bond valence.The extra oxygen defects have effects on carrier density and microstructure of the superconductors.In the light doping level of Fe (x=0-0.05),the superconducting transition and carrier density have significant corresponding relation--the zero resistance temperature Tco and carrier densities decrease linearly with Fe dopants increasing.The thermogravimetric measurements show that the Fe3+ ions’ substituting for Cu2+ ions can bring the extra oxygen into the lattice to form extra oxygen defects.The calculation of the effective bond valence shows that the decrease of carrier density originates the strongly localized binding of the extra oxygen defects.The distortion of Cu-O layer induced by the extra oxygen defects decreases the superconductive transition temperature.The microstructure

Impacts of Carrier Transport and Deep Level Defects on Delayed Cathodoluminescence in Droop-Mitigating InGaN/GaN LEDs

Energy Technology Data Exchange (ETDEWEB)

Zhao, Zhibo; Singh, Akshay; Chesin, Jordan; Armitage, Rob; Wildeson, Isaac; Deb, Parijat; Armstrong, Andrew; Kisslinger, Kim; Stach, Eric; Gradecak, Silvija

2017-07-25

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) 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.

On the diffusion process of irradiation-induced point defects in the stress field of a moving dislocation

International Nuclear Information System (INIS)

Steinbach, E.

1987-01-01

The cellular model of a dislocation is used for an investigation of the time-dependent diffusion process of irradiation-induced point defects interacting with the stress field of a moving dislocation. An analytic solution is given taking into account the elastic interaction due to the first-order size effect and the stress-induced interaction, the kinematic interaction due to the dislocation motion as well as the presence of secondary neutral sinks. The results for the space and time-dependent point defect concentration, represented in terms of Mathieu-Bessel and Mathieu-Hankel functions, emphasize the influence of the parameters which have been taken into consideration. Proceeding from these solutions, formulae for the diffusion flux reaching unit length of the dislocation, which plays an important role with regard to void swelling and irradiation-induced creep, are derived

Study on radiation-induced defects in germanium monocrystals by the X-ray diffusive scattering method

International Nuclear Information System (INIS)

Malinenko, I.A.; Perelygina, E.A.; Chudinova, S.A.; Shivrin, O.N.

1979-01-01

The method of X-ray diffusion scattering was used to study the defective structure of germanium monocrystals exposed to 750 keV proton irradiation with 3.8x10 16 -4.6x10 17 cm -2 doses and subjected to the subsequent annealing at temperatures up to 450 deg C. Detected in the crystals were the complex radiation induced structure characterized with oriented vacancy complexes and results from the both effects: irradiation and annealing. Radiation defect sizes in the section (hhO) have been determined. With increasing the annealing temperature the structure reconstruction resulting in the complex dissociation is observed

Model of defect reactions and the influence of clustering in pulse-neutron-irradiated Si

International Nuclear Information System (INIS)

Myers, S. M.; Cooper, P. J.; Wampler, W. R.

2008-01-01

Transient reactions among irradiation defects, dopants, impurities, and carriers in pulse-neutron-irradiated Si were modeled taking into account the clustering of the primal defects in recoil cascades. Continuum equations describing the diffusion, field drift, and reactions of relevant species were numerically solved for a submicrometer spherical volume, within which the starting radial distributions of defects could be varied in accord with the degree of clustering. The radial profiles corresponding to neutron irradiation were chosen through pair-correlation-function analysis of vacancy and interstitial distributions obtained from the binary-collision code MARLOWE, using a spectrum of primary recoil energies computed for a fast-burst fission reactor. Model predictions of transient behavior were compared with a variety of experimental results from irradiated bulk Si, solar cells, and bipolar-junction transistors. The influence of defect clustering during neutron bombardment was further distinguished through contrast with electron irradiation, where the primal point defects are more uniformly dispersed

Mitochondrial Pyruvate Carrier 2 Hypomorphism in Mice Leads to Defects in Glucose-Stimulated Insulin Secretion

Directory of Open Access Journals (Sweden)

Patrick A. Vigueira

2014-06-01

Full Text Available Carrier-facilitated pyruvate transport across the inner mitochondrial membrane plays an essential role in anabolic and catabolic intermediary metabolism. Mitochondrial pyruvate carrier 2 (Mpc2 is believed to be a component of the complex that facilitates mitochondrial pyruvate import. Complete MPC2 deficiency resulted in embryonic lethality in mice. However, a second mouse line expressing an N-terminal truncated MPC2 protein (Mpc2Δ16 was viable but exhibited a reduced capacity for mitochondrial pyruvate oxidation. Metabolic studies demonstrated exaggerated blood lactate concentrations after pyruvate, glucose, or insulin challenge in Mpc2Δ16 mice. Additionally, compared with wild-type controls, Mpc2Δ16 mice exhibited normal insulin sensitivity but elevated blood glucose after bolus pyruvate or glucose injection. This was attributable to reduced glucose-stimulated insulin secretion and was corrected by sulfonylurea KATP channel inhibitor administration. Collectively, these data are consistent with a role for MPC2 in mitochondrial pyruvate import and suggest that Mpc2 deficiency results in defective pancreatic β cell glucose sensing.

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

Science.gov (United States)

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.

Point defects dynamics in a stress field

International Nuclear Information System (INIS)

Smetniansky de De Grande, Nelida.

1989-01-01

The dependence of anisotropic defect diffusion on stress is studied for a hexagonal close packed (hcp) material under irradiation and uniaxially stressed. The diffusion is described as a discrete process of thermally activated jumps. It is shown that the presence of an external stress field enhances the intrinsic anisotropic diffusion, being this variation determined by the defect dipole tensors' symmetry in the equilibrium and saddle point configurations. Also, the point defect diffusion equations to sinks, like edge dislocations and spherical cavities, are solved and the sink strengths are calculated. The conclusion is that the dynamics of the interaction between defects and sinks is controlled by the changes in diffusivity induced by stress fields. (Author) [es

Defect formation in heavily doped Si upon irradiation

International Nuclear Information System (INIS)

Gubskaya, V.I.; Kuchinskii, P.V.; Lomako, V.M.

1981-01-01

The rates of the carrier removal and radiation defect introduction into n- and p-Si in the concentration range of 10 14 to 10 17 cm -3 upon 7-MeV-electron irradiation have been studied. The spectrum of the vacancy-type defects, defining the carrier removal rate in lightly doped crystals has been found. With doping level increase the carrier removal rate grows irrespective of conductivity type, and at n 0 , p 0 > 10 17 cm -3 is close to the total displacement number. At the same time a decrease in the introduction rate of the known vacancy-type defects is observed. x It is shown that a considerable growth of the carrier removal rate is defined neither by introduction of shallow compensating centers, nor by change in the primary defect charge state. It is suggested that at high doping impurity concentrations compensation in Si is due to the introduction of complexes doping impurity-interstitial or (impurity atom-interstitial) + vacancy, which give deep levels. (author)

Effect of Fe Doping by Thermal in-Diffusion on the Defect Structure of Lithium Niobate

Energy Technology Data Exchange (ETDEWEB)

Mignoni, S; Zaltron, A; Ciampolillo, M V; Bazzan, M; Argiolas, N; Sada, C; Fontana, M D, E-mail: zaltronam@padova.infm.it

2010-11-15

In this work we investigate the iron incorporation in thermally diffused Fe doped LN, by combining two experimental techniques, i.e. micro-Raman spectroscopy and proton induced X rays emission. Our results point out that in substituting for Li, Fe ions induces a decrease of Nb{sub Li} antisite defects and rearrangement of the Nb sublattice.

Characterization of transport properties in uranium dioxide: the case of the oxygen auto-diffusion

International Nuclear Information System (INIS)

Fraczkiewicz, M.; Baldinozzi, G.

2008-01-01

Point defects in uranium dioxide which control the transport phenomena are still badly known. The aim of this work is to show how in carrying out several experimental techniques, it is possible to demonstrate both the existence and to determine the nature (charge and localization) of predominant defects responsible of the transport phenomena in a fluorite-type structure oxide. The oxygen diffusion in the uranium dioxide illustrates this. In the first part of this work, the accent is put on the electric properties of uranium dioxide and more particularly on the variation laws of the electric conductivity in terms of temperature, of oxygen potential and of the impurities amounts present in the material. These evolutions are connected to point and charged complex defects models and the pertinence of these models is discussed. Besides, it is shown how the electric conductivity measurements can allow to define oxygen potential domains in which the concentrations in electronic carriers are controlled. This characterization being made, it is shown that the determination of the oxygen intrinsic diffusion coefficient and particularly its dependence to the oxygen potential and to the amount of impurity, allows to determine the main defect responsible to the atomic diffusion as well as its nature and its charge. In the second part, the experimental techniques to determine the oxygen diffusion coefficient are presented: there are the isotopic exchange technique for introducing the tracer in the material, and two techniques to characterize the diffusion profiles (SIMS and NRA). Examples of preliminary results are given for mono and polycrystalline samples. At last, from this methodology on uranium dioxide, studies considered to quantify the thermal and physicochemical effects are presented. Experiments considered with the aim to characterize the radiation diffusion in uranium dioxide are presented too. (O.M.)

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

International Nuclear Information System (INIS)

Neumüller, A.; Sergeev, O.; Vehse, M.; Agert, C.; Bereznev, S.; Volobujeva, O.; Ewert, M.; Falta, J.

2016-01-01

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 treatment 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.

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

Energy Technology Data Exchange (ETDEWEB)

Neumüller, A., E-mail: alex.neumueller@next-energy.de; Sergeev, O.; Vehse, M.; Agert, C. [NEXT ENERGY EWE Research Centre for Energy Technology at the University of Oldenburg, Carl-von-Ossietzky-Straße 15, 26129 Oldenburg (Germany); Bereznev, S.; Volobujeva, O. [Department of Materials Science, Tallinn University of Technology, Ehitajate Tee 5, Tallinn 19086 (Estonia); Ewert, M.; Falta, J. [Institute of Solid State Physics, University of Bremen, Otto-Hahn-Allee 1, 28359 Bremen (Germany); MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen (Germany)

2016-07-25

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 treatment 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.

Effect of saddle-point anisotropy on point-defect drift-diffusion into straight dislocations

International Nuclear Information System (INIS)

Skinner, B.C.; Woo, C.H.

1983-02-01

Effects on point-defect drift-diffusion in the strain fields of edge or screw dislocations, due to the anisotropy of the point defect in its saddle-point configuration, are investigated. Expressions for sink strength and bias that include the saddle-point shape effect are derived, both in the absence and presence of an externally applied stress. These are found to depend on intrinsic parameters such as the relaxation volume and the saddle-point shape of the point defects, and extrinsic parameters such as temperature and the magnitude and direction of the externally applied stress with respect to the line direction and Burgers vector direction of the dislocation. The theory is applied to fcc copper and bcc iron. It is found that screw dislocations are biased sinks and that the stress-induced bias differential for the edge dislocations depends much more on the line direction than the Burgers vector direction. Comparison with the stress-induced bias differential due to the usual SIPA effect is made. It is found that the present effect causes a bias differential that is more than an order of magnitude larger

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

Science.gov (United States)

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.

Optical and Temporal Carrier Dynamics Investigations of III-Nitrides for Semiconductor Lighting

KAUST Repository

Ajia, Idris A.

2018-01-01

In the first part of this dissertation, the effects of some important types of crystal defects present in III-nitride structures are investigated. Here, two types of defects are studied in two different III-nitride-based light emitting structures. The first defects of interest are V-pit defects in InGaN/GaN multiple quantum well (MQW) blue LEDs, where their contribution to the high-efficiency of such LEDs is discussed. In addition, the effect of these defects on the efficiency droop phenomenon in these LEDs is elucidated. Secondly, the optical effects of grain boundary defects in AlN-rich AlGaN/AlGaN MQWs is studied. In this study, it is shown that grain boundary defects may result in abnormal carrier localization behavior in these deep ultraviolet (UV) structures. While both defects are treated individually, it is evident from these studies that threading dislocation (TD) defects are an underlying contributor to the more undesirable outcomes of the said defects. In the second part, the dissertation reports on the carrier dynamics of III-nitride LED structures grown on emerging substrates—as possible efficiency enhancing techniques—aimed at mitigating the effects of TD defects. Thus, the carrier dynamics of GaN/AlGaN UV MQWs grown, for the first time, on (2̅01) – oriented β-Ga2O3 is studied. It is shown to be a candidate substrate for highly efficient vertical UV devices. Finally, results from the carrier dynamics investigation of an AlGaN/AlGaN MQW LED structure homoepitaxially grown on AlN substrate are discussed, where it is shown that its high-efficiency is sustained at high temperatures through the thermal redistribution of carriers to highly efficient recombination sites.

In-Situ Photoexcitation-Induced Suppression of Point Defect Generation in Ion Implanted Silicon

International Nuclear Information System (INIS)

Cho, C.R.; Rozgonyi, G.A.; Yarykin, N.; Zuhr, R.A.

1999-01-01

The formation of vacancy-related defects in n-type silicon has been studied immediately after implantation of He, Si, or Ge ions at 85 K using in-situ DLTS. A-center concentrations in He-implanted samples reach a maximum immediately after implantation, whereas, with Si or Ge ion implanted samples they continuously increase during subsequent anneals. It is proposed that defect clusters, which emit vacancies during anneals, are generated in the collision cascades of Si or Ge ions. An illumination-induced suppression of A-center formation is seen immediately after implantation of He ions at 85 K. This effect is also observed with Si or Ge ions, but only after annealing. The suppression of vacancy complex formation via photoexcitation is believed to occur due to an enhanced recombination of defects during ion implantation, and results in reduced number of vacancies remaining in the defect clusters. In p-type silicon, a reduction in K-center formation and an enhanced migration of defects are concurrently observed in the illuminated sample implanted with Si ions. These observations are consistent with a model where the injection of excess carriers modifies the defect charge state and impacts their diffusion

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

DEFF Research Database (Denmark)

Horstmann, Peter Frederik; Raina, Deepak Bushan; Isaksson, Hanna

2017-01-01

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...

Optical and Temporal Carrier Dynamics Investigations of III-Nitrides for Semiconductor Lighting

KAUST Repository

Ajia, Idris A.

2018-05-22

III-nitride semiconductors suffer significant efficiency limitations; ‘efficiency’ being an umbrella term that covers an extensive list of challenges that must be overcome if they are to fulfil their vast potential. To this end, it is imperative to understand the underlying phenomena behind such limitations. In this dissertation, I combine powerful optical and structural characterization techniques to investigate the effect of different defects on the carrier dynamics in III-nitride materials for light emitting devices. The results presented herein will enhance the current understanding of the carrier mechanisms in such devices, which will lead to device efficiency improvements. In the first part of this dissertation, the effects of some important types of crystal defects present in III-nitride structures are investigated. Here, two types of defects are studied in two different III-nitride-based light emitting structures. The first defects of interest are V-pit defects in InGaN/GaN multiple quantum well (MQW) blue LEDs, where their contribution to the high-efficiency of such LEDs is discussed. In addition, the effect of these defects on the efficiency droop phenomenon in these LEDs is elucidated. Secondly, the optical effects of grain boundary defects in AlN-rich AlGaN/AlGaN MQWs is studied. In this study, it is shown that grain boundary defects may result in abnormal carrier localization behavior in these deep ultraviolet (UV) structures. While both defects are treated individually, it is evident from these studies that threading dislocation (TD) defects are an underlying contributor to the more undesirable outcomes of the said defects. In the second part, the dissertation reports on the carrier dynamics of III-nitride LED structures grown on emerging substrates—as possible efficiency enhancing techniques—aimed at mitigating the effects of TD defects. Thus, the carrier dynamics of GaN/AlGaN UV MQWs grown, for the first time, on (2̅01) – oriented β-Ga2O

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

Science.gov (United States)

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.

Study of excess carrier dynamics in polar, semi-polar, and non-polar (In,Ga)N epilayers and QWs

Energy Technology Data Exchange (ETDEWEB)

Aleksiejunas, R. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Lubys, L.; Jarasiunas, K. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Vengris, M. [Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Wernicke, T.; Hoffmann, V.; Netzel, C.; Knauer, A.; Weyers, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Kneissl, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Institute of Solid State Physics, Technische Universitaet Berlin, Hardenbergstr. 36, 10623 Berlin (Germany)

2011-07-15

We studied carrier recombination and diffusion in GaN/sapphire templates, (In,Ga)N layers, and (In,Ga)N quantum well structures oriented along the polar [0001], semi-polar [11-22], and non-polar [11-20] orientations by means of light induced transient grating, differential transmission, and photoluminescence optical techniques. We show that the lifetime of excess carriers drops by orders of magnitude when changing the orientation from polar to non-polar, both in GaN templates and (In,Ga)N layers. We attribute the shorter lifetime to carrier trapping by extended structural defects that are more abundant in non-polar grown samples. In addition, we observe pronounced carrier localization effects in the semi- and non-polar layers. We show that thick (In,Ga)N layers inherit the properties of the GaN templates. However, the thin quantum well structures show a lower carrier trapping activity. So, a better electrical quality can be assumed as compared to the thick (In,Ga)N layers. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Diffuse scattering and defect structure simulations a cook book using the program DISCUS

CERN Document Server

Neder, Reinhard B

2009-01-01

In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complextopic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a dis

The defect chemistry of nitrogen in oxides: A review of experimental and theoretical studies

International Nuclear Information System (INIS)

Polfus, Jonathan M.; Norby, Truls; Haugsrud, Reidar

2013-01-01

Incorporation of nitrogen into oxides has in recent years received increased attention as a variable for tuning their functional properties. A vast number of reports have been devoted to improving the photocatalytic properties of TiO 2 , p-type charge carrier concentration in ZnO and the ionic transport properties of ZrO 2 by nitrogen doping. In comparison, the fundamentals of the nitrogen related defect chemistry for a wider range of oxides have been less focused upon. In the present contribution, we review experimental and computational investigations of the nitrogen related defect chemistry of insulating and semiconducting oxides. The interaction between nitrogen and protons is important and emphasized. Specifically, the stability of nitrogen defects such as N O / , NH O × and (NH 2 ) O • is evaluated under various conditions and their atomistic and electronic structure is presented. A final discussion is devoted to the role of nitrogen with respect to transport properties and photocatalytic activity of oxides. - Graphical abstract: Experimental and theoretical investigations of the nitrogen related defect chemistry of a range of wide band gap oxides is reviewed. The interaction between nitrogen dopants and protons is emphasized and described through the atomistic and electronic structure as well as defect chemical processes involving NH and NH 2 defects. Consequently, the physical properties of oxides containing such species are discussed with respect to e.g., diffusion and photocatalytic properties. Highlights: ► Experimental and theoretical investigations of the nitrogen and hydrogen related defect chemistry of wide band gap oxides is reviewed. ► The interaction between nitrogen dopants and protons is important and emphasized. ► Diffusion and photocatalytic properties of N-doped oxides are discussed.

Spin diffusion in disordered organic semiconductors

Science.gov (United States)

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.

Time-domain vibrational study on defects in ion-irradiated crystal

International Nuclear Information System (INIS)

Kitajima, M.

2003-01-01

We have studied the effects of point defects on coherent phonons in ion-implanted bismuth and graphite. Ultrafast dynamics of coherent phonons and photo-generated carriers in the femtosecond time-domain have been investigated by means of pump-probe reflectivity measurements. Point defects are introduced by irradiating graphite with 5 keV He + ions. For Bi the dephasing rate of the A 1g phonon increases linearly with increasing ion dose, which is explained by the additional dephasing process of the coherent phonon originated from scattering of phonons by the defects. For graphite, introduction of the defects enhances the carrier relaxation by opening a decay channel via vacancy-states, which competes efficiently with carrier-phonon scattering. The coherent acoustic phonon relaxation is also accelerated due to an additional scattering by defects. The linear fluence-dependence of the decay rate is understood as scattering of propagating acoustic phonon by single vacancies. (author)

Defects in dilute nitrides

International Nuclear Information System (INIS)

Chen, W.M.; Buyanova, I.A.; Tu, C.W.; Yonezu, H.

2005-01-01

We provide a brief review our recent results from optically detected magnetic resonance studies of grown-in non-radiative defects in dilute nitrides, i.e. Ga(In)NAs and Ga(Al,In)NP. Defect complexes involving intrinsic defects such as As Ga antisites and Ga i self interstitials were positively identified.Effects of growth conditions, chemical compositions and post-growth treatments on formation of the defects are closely examined. These grown-in defects are shown to play an important role in non-radiative carrier recombination and thus in degrading optical quality of the alloys, harmful to performance of potential optoelectronic and photonic devices based on these dilute nitrides. (author)

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

International Nuclear Information System (INIS)

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

2017-01-01

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 Al_0_._3Ga_0_._7As/GaAs/Al_0_._2_5Ga_0_._7_5As 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

Energy Technology Data Exchange (ETDEWEB)

Auden, E.C., E-mail: eauden@sandia.gov; Vizkelethy, G.; Serkland, D.K.; Bossert, D.J.; Doyle, B.L.

2017-05-15

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{sub 0.3}Ga{sub 0.7}As/GaAs/Al{sub 0.25}Ga{sub 0.75}As 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.

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

Science.gov (United States)

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.

Bacterial Carriers for Glioblastoma Therapy

Directory of Open Access Journals (Sweden)

Nalini Mehta

2017-03-01

Full Text Available Treatment of aggressive glioblastoma brain tumors is challenging, largely due to diffusion barriers preventing efficient drug dosing to tumors. To overcome these barriers, bacterial carriers that are actively motile and programmed to migrate and localize to tumor zones were designed. These carriers can induce apoptosis via hypoxia-controlled expression of a tumor suppressor protein p53 and a pro-apoptotic drug, Azurin. In a xenograft model of human glioblastoma in rats, bacterial carrier therapy conferred a significant survival benefit with 19% overall long-term survival of >100 days in treated animals relative to a median survival of 26 days in control untreated animals. Histological and proteomic analyses were performed to elucidate the safety and efficacy of these carriers, showing an absence of systemic toxicity and a restored neural environment in treated responders. In the treated non-responders, proteomic analysis revealed competing mechanisms of pro-apoptotic and drug-resistant activity. This bacterial carrier opens a versatile avenue to overcome diffusion barriers in glioblastoma by virtue of its active motility in extracellular space and can lead to tailored therapies via tumor-specific expression of tumoricidal proteins.

Fifth workshop on the role of impurities and defects in silicon device processing. Extended abstracts

Energy Technology Data Exchange (ETDEWEB)

Sopori, B.L.; Luque, A.; Sopori, B.; Swanson, D.; Gee, J.; Kalejs, J.; Jastrzebski, L.; Tan, T.

1995-08-01

This workshop dealt with engineering aspects and material properties of silicon electronic devices. Crystalline silicon growth, modeling, and properties are discussed in general and as applied to solar cells. Topics considered in discussions of silicon growth include: casting, string ribbons, Al backside contacts, ion implantation, gettering, passivation, and ultrasound treatments. Properties studies include: Electronic properties of defects and impurities, dopant and carrier concentrations, structure and bonding, nitrogen effects, degradation of bulk diffusion length, and recombination parameters. Individual papers from the workshop are indexed separately on the Energy Data Bases.

The effects of metallicity, radiation field and dust extinction on the charge state of PAHs in diffuse clouds: implications for the DIB carrier

NARCIS (Netherlands)

Cox, N.L.J.; Spaans, M.

2006-01-01

Context.The unidentified diffuse interstellar bands (DIB) are observed throughout the Galaxy, the Local Group and beyond. Their carriers are possibly related to complex carbonaceous gas-phase molecules, such as (cationic) polycyclic aromatic hydrocarbons and fullerenes. Aims.In order to reveal the

The effects of metallicity, radiation field and dust extinction on the charge state of PAHs in diffuse clouds : implications for the DIB carrier

NARCIS (Netherlands)

Cox, NLJ; Spaans, M

Context. The unidentified diffuse interstellar bands (DIB) are observed throughout the Galaxy, the Local Group and beyond. Their carriers are possibly related to complex carbonaceous gas-phase molecules, such as (cationic) polycyclic aromatic hydrocarbons and fullerenes. Aims. In order to reveal the

Defects in semiconductors

CERN Document Server

Romano, Lucia; Jagadish, Chennupati

2015-01-01

This volume, number 91 in the Semiconductor and Semimetals series, focuses on defects in semiconductors. Defects in semiconductors help to explain several phenomena, from diffusion to getter, and to draw theories on materials' behavior in response to electrical or mechanical fields. The volume includes chapters focusing specifically on electron and proton irradiation of silicon, point defects in zinc oxide and gallium nitride, ion implantation defects and shallow junctions in silicon and germanium, and much more. It will help support students and scientists in their experimental and theoret

Effects of in-cascade defect clustering on near-term defect evolution

Energy Technology Data Exchange (ETDEWEB)

Heinisch, H.L. [Pacific Northwest National Lab., Richland, WA (United States)

1997-08-01

The effects of in-cascade defect clustering on the nature of the subsequent defect population are being studied using stochastic annealing simulations applied to cascades generated in molecular dynamics (MD) simulations. The results of the simulations illustrates the strong influence of the defect configuration existing in the primary damage state on subsequent defect evolution. The large differences in mobility and stability of vacancy and interstitial defects and the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades have been shown to be significant factors affecting the evolution of the defect distribution. In recent work, the effects of initial cluster sizes appear to be extremely important.

Extraction of minority carrier diffusion length of MWIR Type-II superlattice nBp detector

Science.gov (United States)

Taghipour, Zahra; Kazemi, Alireza; Myers, Stephen; Wijewarnasuriya, Priyalal; Mathews, Sen; Steenbergen, Elizabeth H.; Morath, Christian; Cowan, Vincent M.; Ariyawansa, Gamini; Scheihing, John; Krishna, Sanjay

2017-08-01

We present a model for the spectral external quantum efficiency (EQE) to extract the minority carrier diffusion length (Ln) of a unipolar nBp InAs/GaSb Type-II superlattice (T2SL) mid-wave infrared (MWIR) detector. The detector consists of a 4 μm thick p-doped 10ML InAs/10ML GaSb SL absorber with a 50% cut-off wavelength of 5 μm at 80 K and zero bias. The n-type doped InAs/AlSb SL barrier in the structure was included to reduce the GR dark current. By fitting the experimentally measured EQE data to the theoretically calculated QE based on the solution of the drift-diffusion equation, the p-type absorber was found the have Ln = 10 +/- 0.5 μm at 80K, and Ln = 12 +/- 0.5 μm at 120K and 150K. We performed the absorption coefficient measurement at different temperatures of interest. Also, we estimated the reduced background concentration and the built-in potential by utilizing a capacitance-voltage measurement technique. We used time-resolved-photoluminescence (TRPL) to determine the lifetime at 80K. With the result of the model and the lifetime measurement, we calculated the diffusion coefficient and the mobility in the T2SL detector at various temperatures. Also, we studied the behavior of different dark current mechanisms by fitting the experimentally measured and simulated dark current density under different operating temperatures and biases.

Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals

KAUST Repository

Shi, Dong

2015-01-29

The fundamental properties and ultimate performance limits of organolead trihalide MAPbX3(MA = CH3NH3 +; X = Br- or I- ) perovskites remain obscured by extensive disorder in polycrystalline MAPbX3 films. We report an antisolvent vapor-assisted crystallization approach that enables us to create sizable crack-free MAPbX3 single crystals with volumes exceeding 100 cubic millimeters. These large single crystals enabled a detailed characterization of their optical and charge transport characteristics.We observed exceptionally low trap-state densities on the order of 109 to 1010 per cubic centimeter in MAPbX3 single crystals (comparable to the best photovoltaic-quality silicon) and charge carrier diffusion lengths exceeding 10 micrometers. These results were validated with density functional theory calculations.

Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals

KAUST Repository

Shi, Dong; Adinolfi, Valerio; Comin, Riccardo; Yuan, Mingjian; Alarousu, Erkki; Buin, Andrei K.; Chen, Yin; Hoogland, Sjoerd H.; Rothenberger, Alexander; Katsiev, Khabiboulakh; Losovyj, Yaroslav B.; Zhang, Xin; Dowben, Peter A.; Mohammed, Omar F.; Sargent, E. H.; Bakr, Osman

2015-01-01

The fundamental properties and ultimate performance limits of organolead trihalide MAPbX3(MA = CH3NH3 +; X = Br- or I- ) perovskites remain obscured by extensive disorder in polycrystalline MAPbX3 films. We report an antisolvent vapor-assisted crystallization approach that enables us to create sizable crack-free MAPbX3 single crystals with volumes exceeding 100 cubic millimeters. These large single crystals enabled a detailed characterization of their optical and charge transport characteristics.We observed exceptionally low trap-state densities on the order of 109 to 1010 per cubic centimeter in MAPbX3 single crystals (comparable to the best photovoltaic-quality silicon) and charge carrier diffusion lengths exceeding 10 micrometers. These results were validated with density functional theory calculations.

Defect properties from X-ray scattering experiments

International Nuclear Information System (INIS)

Peisl, H.

1976-01-01

Lattice distortions due to defects in crystals can be studied most directly by elastic X-ray or neutron scattering experiments. The 'size' of the defects can be determined from the shift of the Bragg reflections. Defect induced diffuse scattering intensity close to and between Bragg reflections gives information on the strength and symmetry of the distortion fields and yields the atomic structure of point defects (interstitials, vacancies, small aggregates). Diffuse scattering is a very sensitive method to decide whether defects are present as isolated point defects or have formed aggregates. X-ray scattering has been used to study defects produced in various ionic crystals by γ- and neutron irradiation. After an introduction to the principles of the method the experimental results will be reviewed and discussed in some detail. (orig.) [de

High resolution deep level transient spectroscopy and process-induced defects in silicon

International Nuclear Information System (INIS)

Evans-Freeman, J.H.; Emiroglu, D.; Vernon-Parry, K.D.

2004-01-01

High resolution, or Laplace, deep level transient spectroscopy (LDLTS) enables the identification of very closely spaced energetic levels in a semiconductor bandgap. DLTS may resolve peaks with a separation of tens of electron volts, but LDLTS can resolve defect energy separations as low as a few MeV. In this paper, we present results from LDLTS applied to ion implantation-induced defects in silicon, with particular emphasis on characterisation of end-of-range interstitial type defects. Silicon was implanted with a variety of ions from mass 28 to 166. A combination of LDLTS and direct capture cross-section measurements was employed to show that electrically active small extended defects were present in the as-implanted samples. Larger dislocations were then generated in Si by oxygenation to act as a control sample. These stacking faults had typical lengths of microns, and their electrical activity was subsequently characterised by LDLTS. This was to establish the sensitivity of LDLTS to defects whose carrier capture is characterised by a non-exponential filling process and an evolving band structure as carrier capture proceeds. The LDLTS spectra show several components in capacitance transients originating from both the end-of-range defects, and the stacking faults, and also clearly show that the carrier emission rates reduce as these extended defects fill with carriers. The end-of-range defects and the stacking faults are shown to have the same electrical behaviour

Adsorption and Diffusion of Lithium and Sodium on Defective Rhenium Disulfide: A First Principles Study.

Science.gov (United States)

Mukherjee, Sankha; Banwait, Avinav; Grixti, Sean; Koratkar, Nikhil; Singh, Chandra Veer

2018-02-14

Single-layer rhenium disulfide (ReS 2 ) is a unique material with distinctive, anisotropic electronic, mechanical, and optical properties and has the potential to be used as an anode in alkali-metal-ion batteries. In this work, first principles calculations were performed to systematically evaluate the potential of monolayer pristine and defective ReS 2 as anodes in lithium (Li)- and sodium (Na)-ion batteries. Our calculations suggest that there are several potential adsorption sites for Li and Na on pristine ReS 2 , owing to its low-symmetry structure. Additionally, the adsorption of Li and Na over pristine ReS 2 is very strong with adsorption energies of -2.28 and -1.71 eV, respectively. Interestingly, the presence of point defects causes significantly stronger binding of the alkali-metal atoms with adsorption energies in the range -2.98 to -3.17 eV for Li and -2.66 to -2.92 eV for Na. Re single vacancy was found to be the strongest binding defect for Li adsorption, whereas S single vacancy was found to be the strongest for Na. The diffusion of these two alkali atoms over pristine ReS 2 is anisotropic, with an energy barrier of 0.33 eV for Li and 0.16 eV for Na. The energy barriers associated with escaping a double vacancy and single vacancy for Li atoms are significantly large at 0.60 eV for the double-vacancy case and 0.51 eV for the single-vacancy case. Similarly, for Na, they are 0.59 and 0.47 eV, respectively, which indicates slower migration and sluggish charging/discharging. However, the diffusion energy barrier over a Re single vacancy is found to be merely 0.42 eV for a Li atom and 0.28 eV for Na. Overall, S single and double vacancies can reduce the diffusion rate by 10 3 -10 5 times for Li and Na ions, respectively. These results suggest that monolayer ReS 2 with a Re single vacancy adsorbs Li and Na stronger than pristine ReS 2 , with negligible negotiation with the charging/discharging rate of the battery, and therefore they can be used as an anode

Near-infrared free carrier absorption in heavily doped silicon

International Nuclear Information System (INIS)

Baker-Finch, Simeon C.; McIntosh, Keith R.; Yan, Di; Fong, Kean Chern; Kho, Teng C.

2014-01-01

Free carrier absorption in heavily doped silicon can have a significant impact on devices operating in the infrared. In the near infrared, the free carrier absorption process can compete with band to band absorption processes, thereby reducing the number of available photons to optoelectronic devices such as solar cells. In this work, we fabricate 18 heavily doped regions by phosphorus and boron diffusion into planar polished silicon wafers; the simple sample structure facilitates accurate and precise measurement of the free carrier absorptance. We measure and model reflectance and transmittance dispersion to arrive at a parameterisation for the free carrier absorption coefficient that applies in the wavelength range between 1000 and 1500 nm, and the range of dopant densities between ∼10 18 and 3 × 10 20  cm −3 . Our measurements indicate that previously published parameterisations underestimate the free carrier absorptance in phosphorus diffusions. On the other hand, published parameterisations are generally consistent with our measurements and model for boron diffusions. Our new model is the first to be assigned uncertainty and is well-suited to routine device analysis

Diffusion in ordered binary solid systems

International Nuclear Information System (INIS)

Stolwijk, N.A.

1980-01-01

This thesis contains contributions to the field of diffusion in ordered binary solid systems. An extensive experimental investigation of the self diffusion in CoGa is presented. The results of these diffusion measurements strongly suggest that a substantial part of the atomic migration is caused by a new type of defect. A quantitative description of the atomic displacements via this defect is given. Finally computer simulations are presented of diffusion and ordering in binary solid systems. (Auth.)

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

Science.gov (United States)

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.

Polyaniline hybridized surface defective ZnO nanorods with long-term stable photoelectrochemical activity

International Nuclear Information System (INIS)

Bera, Susanta; Khan, Hasmat; Biswas, Indranil; Jana, Sunirmal

2016-01-01

Highlights: • Polyaniline (PANI) hybridized ZnO nanorods was synthesized by solution method. • Surface defects were found in the nanorods. • The hybrid material exhibited an enhancement in visible light absorption. • A long-term stable photoelectrochemical activity of the material was found. • Advancement in the properties would be PANI hybridization and surface defects. - Abstract: We report surfactant/template free precursor solution based synthesis of polyaniline (PANI) hybridized surface defective ZnO nanorods by a two-step process. Initially, ZnO nanorods have been prepared at 95 °C, followed by hybridization (coating) of PANI onto the ZnO via in situ polymerization of aniline monomer, forming ZnO-PANI nanohybrid (ZP). The structural properties of ZP have been analyzed by X-ray diffraction (XRD) and transmission electron microscopic (TEM) studies. The presence of surface defects especially the oxygen vacancies in ZnO has been characterized by photoluminescence emission, high resolution TEM, X-ray photoelectron spectroscopy (XPS) and micro-Raman spectral measurements. The chemical interaction of PANI with ZnO has been examined by Fourier transform infrared (FTIR) and XPS analyses. A significant enhancement in visible absorption of ZP sample is found as evidenced from UV–vis diffused reflectance spectral study. BET nitrogen adsorption-desorption isotherm shows an improved textural property (pore size, pore volume) of ZP. Moreover, a long-term stable photoelectrochemical activity (PEC) of ZP is found compare to pristine ZnO. The synergic effect of PANI hybridization and the presence of surface defects in ZnO NRs can enhance the PEC by prolonging the recombination rate of photogenerated charge carriers. The effect can also provide large number of active sites to make electrolyte diffusion and mass transportation easier in the nanohybrid. This simple synthesis strategy can be adopted for PANI hybridization with different metal oxide semiconductors

Polyaniline hybridized surface defective ZnO nanorods with long-term stable photoelectrochemical activity

Energy Technology Data Exchange (ETDEWEB)

Bera, Susanta; Khan, Hasmat [Sol-Gel Division, CSIR-Central Glass and Ceramic Research Institute (CSIR-CGCRI), 196 Raja S.C. Mullick Road, P.O. Jadavpur University, Kolkata 700 032, West Bengal (India); Biswas, Indranil [Materials Characterization and Instrumentation Division, CSIR-Central Glass and Ceramic Research Institute (CSIR-CGCRI), 196 Raja S.C. Mullick Road, P.O. Jadavpur University, Kolkata 700 032, West Bengal (India); Jana, Sunirmal, E-mail: sjana@cgcri.res.in [Sol-Gel Division, CSIR-Central Glass and Ceramic Research Institute (CSIR-CGCRI), 196 Raja S.C. Mullick Road, P.O. Jadavpur University, Kolkata 700 032, West Bengal (India)

2016-10-15

Highlights: • Polyaniline (PANI) hybridized ZnO nanorods was synthesized by solution method. • Surface defects were found in the nanorods. • The hybrid material exhibited an enhancement in visible light absorption. • A long-term stable photoelectrochemical activity of the material was found. • Advancement in the properties would be PANI hybridization and surface defects. - Abstract: We report surfactant/template free precursor solution based synthesis of polyaniline (PANI) hybridized surface defective ZnO nanorods by a two-step process. Initially, ZnO nanorods have been prepared at 95 °C, followed by hybridization (coating) of PANI onto the ZnO via in situ polymerization of aniline monomer, forming ZnO-PANI nanohybrid (ZP). The structural properties of ZP have been analyzed by X-ray diffraction (XRD) and transmission electron microscopic (TEM) studies. The presence of surface defects especially the oxygen vacancies in ZnO has been characterized by photoluminescence emission, high resolution TEM, X-ray photoelectron spectroscopy (XPS) and micro-Raman spectral measurements. The chemical interaction of PANI with ZnO has been examined by Fourier transform infrared (FTIR) and XPS analyses. A significant enhancement in visible absorption of ZP sample is found as evidenced from UV–vis diffused reflectance spectral study. BET nitrogen adsorption-desorption isotherm shows an improved textural property (pore size, pore volume) of ZP. Moreover, a long-term stable photoelectrochemical activity (PEC) of ZP is found compare to pristine ZnO. The synergic effect of PANI hybridization and the presence of surface defects in ZnO NRs can enhance the PEC by prolonging the recombination rate of photogenerated charge carriers. The effect can also provide large number of active sites to make electrolyte diffusion and mass transportation easier in the nanohybrid. This simple synthesis strategy can be adopted for PANI hybridization with different metal oxide semiconductors

Study of electrical fatigue by defect engineering in organic light-emitting diodes

International Nuclear Information System (INIS)

Gassmann, Andrea; Yampolskii, Sergey V.; Klein, Andreas; Albe, Karsten; Vilbrandt, Nicole; Pekkola, Oili; Genenko, Yuri A.; Rehahn, Matthias; Seggern, Heinz von

2015-01-01

Graphical abstract: - Highlights: • Electrical fatigue is investigated in PPV-based polymer light-emitting diodes. • Bromide defects remaining from Gilch synthesis limit PLED lifetime. • Electrical stress yields lower hole mobility and transition to dispersive transport. • Triplet excitons reduce lifetime and EL-emission-induced degradation observed. • Self-consistent drift-diffusion model for charge carrier injection and transport. - Abstract: In this work the current knowledge on the electrical degradation of polymer-based light-emitting diodes is reviewed focusing especially on derivatives of poly(p-phenylene-vinylene) (PPV). The electrical degradation will be referred to as electrical fatigue and is understood as mechanisms, phenomena and material properties that change during continuous operation of the device at constant current. The focus of this review lies especially on the effect of chemical synthesis on the transport properties of the organic semiconductor and the device lifetimes. In addition, the prominent transparent conductive oxide indium tin oxide as well as In 2 O 3 will be reviewed and how their properties can be altered by the processing conditions. The experiments are accompanied by theoretical modeling shining light on how the change of injection barriers, charge carrier mobility or trap density influence the current–voltage characteristics of the diodes and on how and which defects form in transparent conductive oxides used as anode

Repairing Nanoparticle Surface Defects

NARCIS (Netherlands)

Marino, Emanuele; Kodger, Thomas E.; Crisp, R.W.; Timmerman, Dolf; MacArthur, Katherine E.; Heggen, Marc; Schall, Peter

2017-01-01

Solar devices based on semiconductor nanoparticles require the use of conductive ligands; however, replacing the native, insulating ligands with conductive metal chalcogenide complexes introduces structural defects within the crystalline nanostructure that act as traps for charge carriers. We

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

Science.gov (United States)

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.

Self-diffusion in isotopically enriched silicon carbide and its correlation with dopant diffusion

International Nuclear Information System (INIS)

Rueschenschmidt, K.; Bracht, H.; Stolwijk, N.A.; Laube, M.; Pensl, G.; Brandes, G.R.

2004-01-01

Diffusion of 13 C and 30 Si in silicon carbide was performed with isotopically enriched 4H- 28 Si 12 C/ nat SiC heterostructures which were grown by chemical vapor phase epitaxy. After diffusion annealing at temperatures between 2000 deg. C and 2200 deg. C the 30 Si and 13 C profiles were measured by means of secondary ion mass spectrometry. We found that the Si and C diffusivity is of the same order of magnitude but several orders of magnitude lower than earlier data reported in the literature. Both Si and C tracer diffusion coefficients are in satisfactory agreement with the native point defect contribution to self-diffusion deduced from B diffusion in SiC. This reveals that the native defect which mediates B diffusion also controls self-diffusion. Assuming that B atoms within the extended tail region of B profiles are mainly dissolved on C sites, we propose that B diffuses via the kick-out mechanism involving C interstitials. Accordingly, C diffusion should proceed mainly via C interstitials. The mechanism of Si diffusion remains unsolved but Si may diffuse via both Si vacancies and interstitials, with the preference for either species depending on the doping level

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

Science.gov (United States)

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.

Defect creation in solids by a decay of electronic excitations

International Nuclear Information System (INIS)

Klinger, M.I.; Lushchik, Ch.B.; Mashovets, T.V.; Kholodar', G.A.; Shejnkman, M.K.; Ehlango, M.A.; Kievskij Gosudarstvennyj Univ.; AN Ukrainskoj SSR, Kiev. Inst. Poluprovodnikov)

1985-01-01

A new type of radiationless transitions in nonmetallic solids accompanied by neither the extraction of a heat nor the luminescence, but by a large (in comparison with the interatomic distance) displacements of a small number of atoms is discussed. A classification is given of the instabilities (electrostatic, electron-vibrational, structural) leading to a creation of the defects in crystalline and glassy solids. The processes of the defect creation, due to both the decay of self-trapped excitions in ionic crystals and the multiple ionization of atoms near the pre-existing charged centres in semiconductor are described. The mechanisms of the complex defects reconstruction in semiconductors by nonequilibrium charge carriers and by an electron-hole recombination are discussed. The role of charge carriers in a thermal defect generation is considered. A mechanism of the peculiar defect creation in glassy semiconductors is discussed

Carrier quenching in InGaP/GaAs double heterostructures

Energy Technology Data Exchange (ETDEWEB)

Wells, Nathan P., E-mail: nathan.p.wells@aero.org; Driskell, Travis U.; Hudson, Andrew I.; LaLumondiere, Stephen D.; Lotshaw, William T. [The Aerospace Corporation, Physical Sciences Laboratories, P.O. Box 92957, Los Angeles, California 90009 (United States); Forbes, David V.; Hubbard, Seth M. [NanoPower Research Labs, Rochester Institute of Technology, 156 Lomb Memorial Dr., Rochester, New York 14623 (United States)

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 to 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.

Diffuse x-ray scattering studies of defect reactions in electron-irradiated dilute nickel alloys

International Nuclear Information System (INIS)

Averback, R.S.; Ehrhart, P.

1984-01-01

Huang diffuse scattering was employed to study defect properties in dilute Ni-Si alloys. Ni alloys containing 1 at.% and 0.05 at.% Si were irradiated with electrons at 4.2 K and were subsequently isochronally annealed. It was found that, prior to annealing, the Frenkel-pair resistivities and self-interstitial atom configurations were the same in the alloys as in pure Ni. The independence of the Frenkel-pair resistivity to Si concentration indicates that the resistivities arising from Frenkel pairs and Si solute are linearly additive in Ni. After annealing through stage I to 85 K, the defect cluster size grew to 1.5, 2.3 and 3.0 interstitial atoms for the 1 at.% Si, 0.05 at.% Si and pure Ni specimens, respectively. These results demonstrate that self-interstitial atoms are not immobilised by single Si atoms in Ni, but rather complexes involving several Si atoms and/or two interstitial atoms are the stable defects at the end of annealing stage I. It was also observed that Si solute in Ni strongly suppresses the growth of interstitial clusters in stage II. In the 1 at.% Si alloys di-interstitials were immobilised up to temperatures between 200 and 300 K. There was no indication that Si solute reduced vacancy mobility in annealing stage III. The consequences of these results for the understanding of high-temperature radiation effects in alloys are discussed. (author)

INTERACTION BETWEEN THE BROAD-LINED TYPE Ic SUPERNOVA 2012ap AND CARRIERS OF DIFFUSE INTERSTELLAR BANDS

International Nuclear Information System (INIS)

Milisavljevic, Dan; Margutti, Raffaella; Crabtree, Kyle N.; Soderberg, Alicia M.; Sanders, Nathan E.; Drout, Maria R.; Kamble, Atish; Chakraborti, Sayan; Kirshner, Robert P.; Foster, Jonathan B.; Fesen, Robert A.; Parrent, Jerod T.; Pickering, Timothy E.; Cenko, S. Bradley; Silverman, Jeffrey M.; Marion, G. H. Howie; Vinko, Jozsef; Filippenko, Alexei V.; Mazzali, Paolo; Maeda, Keiichi

2014-01-01

Diffuse interstellar bands (DIBs) are absorption features observed in optical and near-infrared spectra that are thought to be associated with carbon-rich polyatomic molecules in interstellar gas. However, because the central wavelengths of these bands do not correspond to electronic transitions of any known atomic or molecular species, their nature has remained uncertain since their discovery almost a century ago. Here we report on unusually strong DIBs in optical spectra of the broad-lined Type Ic supernova SN 2012ap that exhibit changes in equivalent width over short (≲ 30 days) timescales. The 4428 Å and 6283 Å DIB features get weaker with time, whereas the 5780 Å feature shows a marginal increase. These nonuniform changes suggest that the supernova is interacting with a nearby source of DIBs and that the DIB carriers possess high ionization potentials, such as small cations or charged fullerenes. We conclude that moderate-resolution spectra of supernovae with DIB absorptions obtained within weeks of outburst could reveal unique information about the mass-loss environment of their progenitor systems and provide new constraints on the properties of DIB carriers

INTERACTION BETWEEN THE BROAD-LINED TYPE Ic SUPERNOVA 2012ap AND CARRIERS OF DIFFUSE INTERSTELLAR BANDS

Energy Technology Data Exchange (ETDEWEB)

Milisavljevic, Dan; Margutti, Raffaella; Crabtree, Kyle N.; Soderberg, Alicia M.; Sanders, Nathan E.; Drout, Maria R.; Kamble, Atish; Chakraborti, Sayan; Kirshner, Robert P. [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Foster, Jonathan B. [Yale Center for Astronomy and Astrophysics, Yale University, New Haven, CT 06520 (United States); Fesen, Robert A.; Parrent, Jerod T. [Department of Physics and Astronomy, Dartmouth College, 6127 Wilder Lab, Hanover, NH 03755 (United States); Pickering, Timothy E. [Southern African Large Telescope, P.O. Box 9, Observatory 7935, Cape Town (South Africa); Cenko, S. Bradley [Astrophysics Science Division, NASA Goddard Space Flight Center, Mail Code 661, Greenbelt, MD 20771 (United States); Silverman, Jeffrey M.; Marion, G. H. Howie; Vinko, Jozsef [University of Texas at Austin, 1 University Station C1400, Austin, TX 78712-0259 (United States); Filippenko, Alexei V. [Department of Astronomy, University of California, Berkeley, CA 94720-3411 (United States); Mazzali, Paolo [Astrophysics Research Institute, Liverpool John Moores University, Liverpool L3 5RF (United Kingdom); Maeda, Keiichi, E-mail: dmilisav@cfa.harvard.edu [Department of Astronomy, Kyoto University Kitashirakawa-Oiwake-cho, Sakyo-ku, Kyoto 606-8502 (Japan); and others

2014-02-10

Diffuse interstellar bands (DIBs) are absorption features observed in optical and near-infrared spectra that are thought to be associated with carbon-rich polyatomic molecules in interstellar gas. However, because the central wavelengths of these bands do not correspond to electronic transitions of any known atomic or molecular species, their nature has remained uncertain since their discovery almost a century ago. Here we report on unusually strong DIBs in optical spectra of the broad-lined Type Ic supernova SN 2012ap that exhibit changes in equivalent width over short (≲ 30 days) timescales. The 4428 Å and 6283 Å DIB features get weaker with time, whereas the 5780 Å feature shows a marginal increase. These nonuniform changes suggest that the supernova is interacting with a nearby source of DIBs and that the DIB carriers possess high ionization potentials, such as small cations or charged fullerenes. We conclude that moderate-resolution spectra of supernovae with DIB absorptions obtained within weeks of outburst could reveal unique information about the mass-loss environment of their progenitor systems and provide new constraints on the properties of DIB carriers.

Tracking Ultrafast Carrier Dynamics in Single Semiconductor Nanowire Heterostructures

Directory of Open Access Journals (Sweden)

Taylor A.J.

2013-03-01

Full Text Available An understanding of non-equilibrium carrier dynamics in silicon (Si nanowires (NWs and NW heterostructures is very important due to their many nanophotonic and nanoelectronics applications. Here, we describe the first measurements of ultrafast carrier dynamics and diffusion in single heterostructured Si nanowires, obtained using ultrafast optical microscopy. By isolating individual nanowires, we avoid complications resulting from the broad size and alignment distribution in nanowire ensembles, allowing us to directly probe ultrafast carrier dynamics in these quasi-one-dimensional systems. Spatially-resolved pump-probe spectroscopy demonstrates the influence of surface-mediated mechanisms on carrier dynamics in a single NW, while polarization-resolved femtosecond pump-probe spectroscopy reveals a clear anisotropy in carrier lifetimes measured parallel and perpendicular to the NW axis, due to density-dependent Auger recombination. Furthermore, separating the pump and probe spots along the NW axis enabled us to track space and time dependent carrier diffusion in radial and axial NW heterostructures. These results enable us to reveal the influence of radial and axial interfaces on carrier dynamics and charge transport in these quasi-one-dimensional nanosystems, which can then be used to tailor carrier relaxation in a single nanowire heterostructure for a given application.

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

Science.gov (United States)

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

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

Science.gov (United States)

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.

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

Science.gov (United States)

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.

Preparation of Polysaccharide-Based Microspheres by a Water-in-Oil Emulsion Solvent Diffusion Method for Drug Carriers

Directory of Open Access Journals (Sweden)

Yodthong Baimark

2013-01-01

Full Text Available Polysaccharide-based microspheres of chitosan, starch, and alginate were prepared by the water-in-oil emulsion solvent diffusion method for use as drug carriers. Blue dextran was used as a water-soluble biomacromolecular drug model. Scanning electron microscopy showed sizes of the resultant microspheres that were approximately 100 μm or less. They were spherical in shape with a rough surface and good dispersibility. Microsphere matrices were shown as a sponge. Drug loading efficiencies of all the microspheres were higher than 80%, which suggested that this method has potential to prepare polysaccharide-based microspheres containing a biomacromolecular drug model for drug delivery applications.

Defect formation and carrier doping in epitaxial films of the ''parent'' compound SrCuO2: Synthesis of two superconductors descendants

International Nuclear Information System (INIS)

Feenstra, R.; Norton, D.P.; Budai, J.D.; Jones, E.C.; Christen, D.K.; Kawai, T.

1995-04-01

The infinite layer or parent compounds ACuO 2 (A: Ca-Sr-Ba) constitute the simplest copper oxygen perovskites that contain the CuO 2 sheets essential for superconductivity. The stabilization of these basic ''building blocks'' as epitaxial films, therefore, provides alluring opportunities towards the search for new superconducting compounds and elucidation of the underlying mechanisms. In this work, general trends of the defect formation and carrier doping for epitaxial films of the intermediate endmember SrCuO 2 are reviewed. First results are presented from successful attempts to induce hole-doped superconductivity via the processing-controlled incorporation of charge reservoir layers

Study of low-defect and strain-relaxed GeSn growth via reduced pressure CVD in H2 and N2 carrier gas

Science.gov (United States)

Margetis, J.; Mosleh, A.; Al-Kabi, S.; Ghetmiri, S. A.; Du, W.; Dou, W.; Benamara, M.; Li, B.; Mortazavi, M.; Naseem, H. A.; Yu, S.-Q.; Tolle, J.

2017-04-01

High quality, thick (up to 1.1 μm), strain relaxed GeSn alloys were grown on Ge-buffered Si (1 0 0) in an ASM Epsilon® chemical vapor deposition system using SnCl4 and low-cost commercial GeH4 precursors. The significance of surface chemistry in regards to growth rate and Sn-incorporation is discussed by comparing growth kinetics data in H2 and N2 carrier gas. The role of carrier gas is also explored in the suppression of Sn surface segregation and evolution of layer composition and strain profiles via secondary ion mass spectrometry and X-ray diffraction. Transmission electron microscopy revealed the spontaneous compositional splitting and formation of a thin intermediate layer in which dislocations are pinned. This intermediate layer enables the growth of a thick, strain relaxed, and defect-free epitaxial layer on its top. Last, we present photoluminescence results which indicate that both N2 and H2 growth methods produce optoelectronic device quality material.

Electrical characterization of copper related defect reactions in silicon

Energy Technology Data Exchange (ETDEWEB)

Heiser, T. [Centre National de la Recherche Scientifique, 67 - Strasbourg (France). Lab. PHASE; Istratov, A.A.; Flink, C.; Weber, E.R. [Department of Material Science and Mineral Engineering, University of California at Berkeley, 577 Evans Hall, Berkeley, CA 94720 (United States)

1999-02-12

Defect reactions involving interstitial copper impurities (Cu{sub i}) in silicon are reviewed. The influence of the Coulomb interaction between positively charged copper and negatively charged defects, such as acceptor states of transition metals and lattice defects, on the complex formation rate is discussed in detail. The diffusivity of interstitial copper and the dissociation kinetics of copper-acceptor pairs are studied using the recently introduced transient ion drift (TID) method. TID results reveal that most interstitial copper impurities remain dissolved immediately after the quench and form pairs with shallow acceptors. It is shown that in moderately and heavily doped silicon the diffusivity of copper is trap limited, while in low B-doped silicon the interstitial copper-acceptor pairing is weak enough to allow the assessment of the copper intrinsic diffusion coefficient. The intrinsic diffusion barrier is estimated to be 0.18{+-}0.01 eV. It is concluded that the Coulomb potential used in previous publications underestimated considerably the acceptor-copper interaction. In light of these results, a general discussion on Cu related defect reactions is given. (orig.) 44 refs.

Spatial variation in carrier dynamics along a single CdSSe nanowire

International Nuclear Information System (INIS)

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

2014-01-01

Highlights: • Femtosecond Kerr-gate microscopy allows ultrafast fluorescence measurements along different positions of a single nanowire. • Amplified spontaneous emission observed at high fluences can be used to calculate recombination rates. • Observation of ASE at different locations along a single CdSSe nanowire provides the ability to extract defect densities. - Abstract: Ultrafast charge carrier dynamics along individual CdS x Se 1−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

Prevalence of precore-defective mutant of hepatitis B virus in HBV carriers.

Science.gov (United States)

Niitsuma, H; Ishii, M; Saito, Y; Miura, M; Kobayashi, K; Ohori, H; Toyota, T

1995-08-01

Two hundred and seventy-three serum specimens from hepatitis B virus (HBV) carriers were examined for the presence of a characteristic one point mutation at nucleotide (nt) 1896 from the EcoRI site of the HBV genome in the precore region (the preC mutant) using restriction fragment length polymorphism (RFLP) analysis. This assay approach could detect preC mutants or wild-type sequences when either form constituted more than 10% of the total sample. Overall, 65.5% (76/116) of HBeAg-positive carriers had only the preC wild-type. All HBeAg-positive asymptomatic carriers (n = 14) had only the preC wild-type. In patients with chronic hepatitis B and in anti-HBe-positive asymptomatic carriers, increased prevalence of the preC mutant was associated with the development of anti-HBe antibodies and normalization of the serum alanine aminotransferase concentration. Furthermore, 27 (29.0%) of 93 HBeAg-negative carriers had unexpectedly preC wild-type sequences only. Direct sequencing of the HBV precore region of HBV specimens from 24 patients revealed no mutation at nt 1896, supporting the specificity of the RFLP analysis. These results suggest that RFLP analysis was accurate for the detection of the preC mutation and that the absence of serum HBeAg cannot be explained solely by the dominance of the preC mutant.

Surface diffusion studies by optical diffraction techniques

International Nuclear Information System (INIS)

Xiao, X.D.

1992-11-01

The newly developed optical techniques have been combined with either second harmonic (SH) diffraction or linear diffraction off a monolayer adsorbate grating for surface diffusion measurement. Anisotropy of surface diffusion of CO on Ni(l10) was used as a demonstration for the second harmonic dim reaction method. The linear diffraction method, which possesses a much higher sensitivity than the SH diffraction method, was employed to study the effect of adsorbate-adsorbate interaction on CO diffusion on Ni(l10) surface. Results showed that only the short range direct CO-CO orbital overlapping interaction influences CO diffusion but not the long range dipole-dipole and CO-NI-CO interactions. Effects of impurities and defects on surface diffusion were further explored by using linear diffraction method on CO/Ni(110) system. It was found that a few percent S impurity can alter the CO diffusion barrier height to a much higher value through changing the Ni(110) surface. The point defects of Ni(l10) surface seem to speed up CO diffusion significantly. A mechanism with long jumps over multiple lattice distance initiated by CO filled vacancy is proposed to explain the observed defect effect

Microdefects and self-interstitial diffusion in crystalline silicon

Energy Technology Data Exchange (ETDEWEB)

Knowlton, W.B.

1998-05-01

In this thesis, a study is presented of D-defects and self-interstitial diffusion in silicon using Li ion (Li{sup +}) drifting in an electric field and transmission electron microscopy (TEM). Obstruction of Li{sup +} drifting has been found in wafers from certain but not all FZ p-type Si. Incomplete Li{sup +} drifting always occurs in the central region of the wafers. This work established that interstitial oxygen is not responsible for hindering Li{sup +} drifting. TEM was performed on a samples from the partially Li{sup +} drifted area and compared to regions without D-defects. Precipitates were found only in the region containing D-defects that had partially Li{sup +} drifted. This result indicates D-defects are responsible for the precipitation that halts the Li{sup +} drift process. Nitrogen (N) doping has been shown to eliminate D-defects as measured by conventional techniques. Li{sup +} 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 Li{sup +} 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.

Modeling of extended defects in silicon

International Nuclear Information System (INIS)

Law, M.E.; Jones, K.S.; Earles, S.K.; Lilak, A.D.; Xu, J.W.

1997-01-01

Transient Enhanced Diffusion (TED) is one of the biggest modeling challenges present in predicting scaled technologies. Damage from implantation of dopant ions changes the diffusivities of the dopants and precipitates to form complex extended defects. Developing a quantitative model for the extended defect behavior during short time, low temperature anneals is a key to explaining TED. This paper reviews some of the modeling developments over the last several years, and discusses some of the challenges that remain to be addressed. Two examples of models compared to experimental work are presented and discussed

Behavior of deep level defects on voltage-induced stress of Cu(In,Ga)Se{sub 2} solar cells

Energy Technology Data Exchange (ETDEWEB)

Lee, D.W.; Cho, S.E. [Department of Physics and Semiconductor Science, Dongguk University, Seoul (Korea, Republic of); Jeong, J.H. [Solar Cell Center, Korea Institute of Science and Technology, Seoul (Korea, Republic of); Cho, H.Y., E-mail: hycho@dongguk.edu [Department of Physics and Semiconductor Science, Dongguk University, Seoul (Korea, Republic of)

2015-05-01

The behavior of deep level defects by a voltage-induced stress for CuInGaSe{sub 2} (CIGS) solar cells has been investigated. CIGS solar cells were used with standard structures which are Al-doped ZnO/i-ZnO/CdS/CIGSe{sub 2}/Mo on soda lime glass, and that resulted in conversion efficiencies as high as 16%. The samples with the same structure were isothermally stressed at 100 °C under the reverse voltages. The voltage-induced stressing in CIGS samples causes a decrease in the carrier density and conversion efficiency. To investigate the behavior of deep level defects in the stressed CIGS cells, photo-induced current transient spectroscopy was utilized, and normally 3 deep level defects (including 2 hole traps and 1 electron trap) were found to be located at 0.18 eV and 0.29 eV above the valence band maximum (and 0.36 eV below the conduction band). In voltage-induced cells, especially, it was found that the decrease of the hole carrier density could be responsible for the increase of the 0.29 eV defect, which is known to be observed in less efficient CIGS solar cells. And the carrier density and the defects are reversible at least to a large extent by resting at room-temperature without the bias voltage. From optical capture kinetics in photo-induced current transient spectroscopy measurement, the types of defects could be distinguished into the isolated point defect and the extended defect. In this work, it is suggested that the increase of the 0.29 eV defect by voltage-induced stress could be due to electrical activation accompanied by a loss of positive ion species and the activated defect gives rise to reduction of the carrier density. - Highlights: • We investigated behavior of deep level defects by voltage-induced stress. • Defect generation could affect the decrease of the conversion efficiency of cells. • Defect generation could be electrically activated by a loss of positive ion species. • Type of defects could be studied with models of point defects

Point defects in ZnO crystals grown by various techniques

International Nuclear Information System (INIS)

Čížek, J; Vlček, M; Hruška, P; Lukáč, F; Melikhova, O; Anwand, W; Selim, F; Hugenschmidt, Ch; Egger, W

2017-01-01

In the present work point defects in ZnO crystals were characterized by positron lifetime spectroscopy combined with back-diffusion measurement of slow positrons. Defects in ZnO crystals grown by various techniques were compared. Hydrothermally grown ZnO crystals contain defects characterized by lifetime of ≈181 ps. These defects were attributed to Zn vacancies associated with hydrogen. ZnO crystals prepared by other techniques (Bridgman, pressurized melt growth, and seeded chemical vapour transport) exhibit shorter lifetime of ≈165 ps. Positron back-diffusion studies revealed that hydrothermally grown ZnO crystals contain higher density of defects than the crystals grown by other techniques. The lowest concentration of defects was detected in the crystal grown by seeded chemical vapor transport. (paper)

Intrinsic point defects in inorganic perovskite CsPbI3 from first-principles prediction

KAUST Repository

Li, Yifan

2017-10-19

Cubic inorganic perovskite CsPbI3 is a direct bandgap semiconductor, which is promising for optoelectronic applications, such as solar cells, light emitting diodes, and lasers. The intrinsic defects in semiconductors play crucial roles in determining carrier conductivity, the efficiency of carrier recombination, and so on. However, the thermodynamic stability and intrinsic defect physics are still unclear for cubic CsPbI3. By using the first-principles calculations, we study the thermodynamic process and find out that the window for CsPbI3 growth is quite narrow and the concentration of Cs is important for cubic CsPbI3 growth. Under Pb-rich conditions, VPb and VI can pin the Fermi energy in the middle of the bandgap, which results in a low carrier concentration. Under Pb-poor conditions, VPb is the dominant defect and the material has a high concentration of hole carriers with a long lifetime. Our present work gives an insight view of the defect physics of cubic CsPbI3 and will be beneficial for optoelectronic applications based on cubic CsPbI3 and other analogous inorganic perovskites.

Intrinsic point defects in inorganic perovskite CsPbI3 from first-principles prediction

KAUST Repository

Li, Yifan; Zhang, Chenhui; Zhang, Xixiang; Huang, Dan; Shen, Qian; Cheng, Yingchun; Huang, Wei

2017-01-01

Cubic inorganic perovskite CsPbI3 is a direct bandgap semiconductor, which is promising for optoelectronic applications, such as solar cells, light emitting diodes, and lasers. The intrinsic defects in semiconductors play crucial roles in determining carrier conductivity, the efficiency of carrier recombination, and so on. However, the thermodynamic stability and intrinsic defect physics are still unclear for cubic CsPbI3. By using the first-principles calculations, we study the thermodynamic process and find out that the window for CsPbI3 growth is quite narrow and the concentration of Cs is important for cubic CsPbI3 growth. Under Pb-rich conditions, VPb and VI can pin the Fermi energy in the middle of the bandgap, which results in a low carrier concentration. Under Pb-poor conditions, VPb is the dominant defect and the material has a high concentration of hole carriers with a long lifetime. Our present work gives an insight view of the defect physics of cubic CsPbI3 and will be beneficial for optoelectronic applications based on cubic CsPbI3 and other analogous inorganic perovskites.

Dynamics of photoexcited carrier relaxation and recombination in CdTe/CdS thin films

Energy Technology Data Exchange (ETDEWEB)

Levi, D.H.; Fluegel, B.D.; Ahrenkiel, R.K. [National Renewable Energy Lab., Golden, CO (United States)] [and others

1996-05-01

Efficiency-limiting defects in photovoltaic devices are readily probed by time-resolved spectroscopy. This paper presents the first direct optical measurements of the relaxation and recombination pathways of photoexcited carriers in the CdS window layer of CdTe/CdS polycrystalline thin films. Femtosecond time-resolved pump/probe measurements indicate the possible existence of a two-phase CdS/CdSTe layer, rather than a continuously graded alloy layer at the CdTe/CdS interface. Complementary time-resolved photoluminescence (PL) measurements show that the photoexcited carriers are rapidly captured by deep-level defects. The temporal and density-dependent properties of the photoluminescence prove that the large Stokes shift of the PL relative to the band edge is due to strong phonon coupling to deep-level defects in CdS. The authors suggest that modifications in the CdS processing may enhance carrier collection efficiency in the blue spectral region.

Theoretical optimization of base doping concentration for radiation resistance of InGaP subcells of InGaP/GaAs/Ge based on minority-carrier lifetime

International Nuclear Information System (INIS)

Elfiky, Dalia; Yamaguchi, Masafumi; Sasaki, Takuo

2010-01-01

One of the fundamental objectives for research and development of space solar cells is to improve their radiation resistance. InGaP solar cells with low base carrier concentrations under low-energy proton irradiations have shown high radiation resistances. In this study, an analytical model for low-energy proton radiation damage to InGaP subcells based on a fundamental approach for radiative and nonradiative recombinations has been proposed. The radiation resistance of InGaP subcells as a function of base carrier concentration has been analyzed by using the radiative recombination lifetime and damage coefficient K for the minority-carrier lifetime of InGaP. Numerical analysis shows that an InGaP solar cell with a lower base carrier concentration is more radiation-resistant. Satisfactory agreements between analytical and experimental results have been obtained, and these results show the validity of the analytical procedure. The damage coefficients for minority-carrier diffusion length and carrier removal rate with low-energy proton irradiations have been observed to be dependent on carrier concentration through this study. As physical mechanisms behind the difference observed between the radiation-resistant properties of various base doping concentrations, two mechanisms, namely, the effect of a depletion layer as a carrier collection layer and generation of the impurity-related complex defects due to low-energy protons stopping within the active region, have been proposed. (author)

Diffuse x-ray scattering and transmission electron microscopy study of defects in antimony-implanted silicon

Science.gov (United States)

Takamura, Y.; Marshall, A. F.; Mehta, A.; Arthur, J.; Griffin, P. B.; Plummer, J. D.; Patel, J. R.

2004-04-01

Ion implantation followed by laser annealing has been used to create supersaturated and electrically active concentrations of antimony in silicon. Upon subsequent thermal annealing, however, these metastable dopants deactivate towards the equilibrium solubility limit. In this work, the formation of inactive antimony structures has been studied with grazing incidence diffuse x-ray scattering, and transmission electron microscopy, and the results are correlated to previous high-resolution x-ray diffraction data. We find that at a concentration of 6.0×1020 cm-3, small, incoherent clusters of radius 3-4 Å form during annealing at 900 °C. At a higher concentration of 2.2×1021 cm-3, deactivation at 600 °C occurs through the formation of small, antimony aggregates and antimony precipitates. The size of these precipitates from diffuse x-ray scattering is roughly 15 Å in radius for anneal times from 15 to 180 seconds. This value is consistent with the features observed in high-resolution and mass contrast transmission electron microscopy images. The coherent nature of the aggregates and precipitates causes the expansion of the surrounding silicon matrix as the deactivation progresses. In addition, the sensitivity of the diffuse x-ray scattering technique has allowed us to detect the presence of small clusters of radius ˜2 Å in unprocessed Czochralski silicon wafers. These defects are not observed in floating zone silicon wafers, and are tentatively attributed to thermal donors.

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

Science.gov (United States)

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.

47 CFR 25.112 - Defective applications.

Science.gov (United States)

2010-10-01

... 47 Telecommunication 2 2010-10-01 2010-10-01 false Defective applications. 25.112 Section 25.112 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES SATELLITE COMMUNICATIONS... internationally for such operations under the Radio Regulations of the International Telecommunication Union. (b...

Repairing Nanoparticle Surface Defects.

Science.gov (United States)

Marino, Emanuele; Kodger, Thomas E; Crisp, Ryan W; Timmerman, Dolf; MacArthur, Katherine E; Heggen, Marc; Schall, Peter

2017-10-23

Solar devices based on semiconductor nanoparticles require the use of conductive ligands; however, replacing the native, insulating ligands with conductive metal chalcogenide complexes introduces structural defects within the crystalline nanostructure that act as traps for charge carriers. We utilized atomically thin semiconductor nanoplatelets as a convenient platform for studying, both microscopically and spectroscopically, the development of defects during ligand exchange with the conductive ligands Na 4 SnS 4 and (NH 4 ) 4 Sn 2 S 6 . These defects can be repaired via mild chemical or thermal routes, through the addition of L-type ligands or wet annealing, respectively. This results in a higher-quality, conductive, colloidally stable nanomaterial that may be used as the active film in optoelectronic devices. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

New diffusion mechanism for high temperature diffusion in solids

International Nuclear Information System (INIS)

Doan, N.V.; Adda, Y.

1986-09-01

A new atomic transport mechanism in solids at high temperatures has been discovered by Molecular Dynamics computer simulation. It can be described as a ring sequence of atomic replacements induced by unstable Frenkel pairs. This transport process takes place without stable defects, the atomic migration occurring indeed by simultaneous creation and migration of unstable defects. Starting from the analysis of this mechanism in different solids at high temperature (CaF 2 , Na, Ar) and in irradiated copper by subthreshold collisions, we discuss the role of this mechanism on various diffusion controlled phenomena and also on the atomic processes of defect creation

Insight into carrier lifetime impact on band-modulation devices

Science.gov (United States)

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.

Point defects and magnetic properties of neutron irradiated MgO single crystal

Directory of Open Access Journals (Sweden)

Mengxiong Cao

2017-05-01

Full Text Available (100-oriented MgO single crystals were irradiated to introduce point defects with different neutron doses ranging from 1.0×1016 to 1.0×1020 cm-2. The point defect configurations were studied with X-ray diffuse scattering and UV-Vis absorption spectra. The isointensity profiles of X-ray diffuse scattering caused by the cubic and double-force point defects in MgO were theoretically calculated based on the Huang scattering theory. The magnetic properties at different temperature were measured with superconducting quantum interference device (SQUID. The reciprocal space mappings (RSMs of irradiated MgO revealed notable diffuse scattering. The UV-Vis spectra indicated the presence of O Frenkel defects in irradiated MgO. Neutron-irradiated MgO was diamagnetic at room temperature and became ferromagnetic at low temperature due to O Frenkel defects induced by neutron-irradiation.

Influence of stain etching on low minority carrier lifetime areas of multicrystalline silicon for solar cells

Energy Technology Data Exchange (ETDEWEB)

Montesdeoca-Santana, A. [Departamento de Fisica Basica, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38206 La Laguna (Spain); Fraunhofer Institute for Solar Energy Systems, Laboratory and Servicecenter Gelsenkirchen, Auf der Reihe 2, 45884 Gelsenkirchen (Germany); Gonzalez-Diaz, B. [Departamento de Fisica Basica, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38206 La Laguna (Spain); Departamento de Energia Fotovoltaica, Instituto Tecnologico y de Energias Renovables. Poligono Industrial de Granadilla s/n, 38600 San Isidro-Granadilla de Abona (Spain); Jimenez-Rodriguez, E. [Departamento de Fisica Basica, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38206 La Laguna (Spain); Ziegler, J. [Fraunhofer Institute for Solar Energy Systems, Laboratory- and Servicecenter Gelsenkirchen. Auf der Reihe 2, 45884 Gelsenkirchen (Germany); Velazquez, J.J. [Departamento de Fisica Fundamental y Experimental, Electronica y Sistemas, Universidad de La Laguna. Avda. Astrofisico Francisco Sanchez, 38206 La Laguna (Spain); Hohage, S.; Borchert, D. [Fraunhofer Institute for Solar Energy Systems, Laboratory and Servicecenter Gelsenkirchen. Auf der Reihe 2, 45884 Gelsenkirchen (Germany); Guerrero-Lemus, R., E-mail: rglemus@ull.es [Departamento de Fisica Basica, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38206 La Laguna (Spain)

2011-11-15

Highlights: > An enhanced minority carrier lifetime at extended defects in multicrystalline silicon is observed with the use of HF/HNO{sub 3} stain etching to texture the surface. > FTIR analysis shows no influence of oxide passivation in this effect. > SEM images show a preferential etching at extended defects suggesting smoothing at defects as one of the causes for the reduced recombination activity. > LBIC images show a reduction in IQE at extended defects in HF/HNO{sub 3} textured multicrystalline solar cells. - Abstract: In this work the use of HF/HNO{sub 3} solutions for texturing silicon-based solar cell substrates by stain etching and the influence of texturing on minority carrier lifetimes are studied. Stain etching is currently used to decrease the reflectance and, subsequently improve the photogenerated current of the cells, but also produces nanostructures on the silicon surface. In the textured samples it has been observed that an improvement on the minority carrier lifetime with respect to the samples treated with a conventional saw damage etching process is produced on grain boundaries and defects, and the origin of this effect has been discussed.

Influence of stain etching on low minority carrier lifetime areas of multicrystalline silicon for solar cells

International Nuclear Information System (INIS)

Montesdeoca-Santana, A.; Gonzalez-Diaz, B.; Jimenez-Rodriguez, E.; Ziegler, J.; Velazquez, J.J.; Hohage, S.; Borchert, D.; Guerrero-Lemus, R.

2011-01-01

Highlights: → An enhanced minority carrier lifetime at extended defects in multicrystalline silicon is observed with the use of HF/HNO 3 stain etching to texture the surface. → FTIR analysis shows no influence of oxide passivation in this effect. → SEM images show a preferential etching at extended defects suggesting smoothing at defects as one of the causes for the reduced recombination activity. → LBIC images show a reduction in IQE at extended defects in HF/HNO 3 textured multicrystalline solar cells. - Abstract: In this work the use of HF/HNO 3 solutions for texturing silicon-based solar cell substrates by stain etching and the influence of texturing on minority carrier lifetimes are studied. Stain etching is currently used to decrease the reflectance and, subsequently improve the photogenerated current of the cells, but also produces nanostructures on the silicon surface. In the textured samples it has been observed that an improvement on the minority carrier lifetime with respect to the samples treated with a conventional saw damage etching process is produced on grain boundaries and defects, and the origin of this effect has been discussed.

Duchenne muscular dystrophy carriers

International Nuclear Information System (INIS)

Matsumura, K.; Nakano, I.

1989-01-01

By means of magnetic resonance imaging (MRI), the proton spin-lattice relaxation times (T1 values) of the skeletal muscles were measured in Duchenne muscular dystrophy (DMD) carriers and normal controls. The bound water fraction (BWF) was calculated from the T1 values obtained, according to the fast proton diffusion model. In the DMD carriers, T1 values of the gluteus maximus and quadriceps femoris muscles were significantly higher, and BWFs of these muscles were significantly lower than in normal control. Degenerative muscular changes accompanied by interstitial edema were presumed responsible for this abnormality. No correlation was observed between the muscle T1 and serum creatine kinase values. The present study showed that MRI could be a useful method for studying the dynamic state of water in both normal and pathological skeletal muscles. Its possible utility for DMD carrier detection was discussed briefly. (orig.)

Anomalous diffusion in niobium. Study of solute diffusion mechanism of iron in niobium

International Nuclear Information System (INIS)

Ablitzer, D.

1977-01-01

In order to explain anomalously high diffusion velocities observed for iron diffusion in niobium, the following parameters were measured: isotope effect, b factor (which expresses the effect of iron on niobium self-diffusion), self-diffusion coefficient of niobium, solute diffusion coefficient of iron in niobium. The results obtained show that neither pure vacancy models, nor diffusion in the lattice defects (dislocations, sub-boundaries, grain boundaries), nor pure interstitialy mechanisms, nor simple or cyclic exchange mechanisms agree with experiments. A mechanism is proposed which considers an equilibrium between substitution iron atoms and interstitial iron atoms. The diffusion of iron then occurs through interstitial vancancy pairs [fr

Periodontal wound healing/regeneration following implantation of recombinant human growth/differentiation factor-5 (rhGDF-5) in an absorbable collagen sponge carrier into one-wall intrabony defects in dogs: a dose-range study.

Science.gov (United States)

Kim, Tae-Gyun; Wikesjö, Ulf M E; Cho, Kyoo-Sung; Chai, Jung-Kiu; Pippig, Susanne D; Siedler, Michael; Kim, Chong-Kwan

2009-07-01

Recombinant human growth/differentiation factor-5 (rhGDF-5) is being evaluated as a candidate therapy in support of periodontal regeneration. The objective of this study was to evaluate cementum and alveolar bone formation, and aberrant healing events following surgical implantation of rhGDF-5 in an absorbable collagen sponge (ACS) carrier using an established periodontal defect model. Bilateral 4 x 5 mm (width x depth), one-wall, critical-size, intrabony periodontal defects were surgically created at the mandibular second and fourth pre-molar teeth in 15 Beagle dogs. Five animals received 1 microg/defect and five animals 20 microg/defect rhGDF-5 in unilateral defect sites. Contralateral sites received treatments reported elsewhere. Five animals received rhGDF-5/ACS with 0 (buffer control) and 100 microg/defect rhGDF-5 in contralateral defect sites. The animals were euthanized at 8 weeks post-surgery for histologic and histometric evaluation. Surgical implantation of rhGDF-5 stimulated significant periodontal regeneration. Cementum formation was significantly enhanced in sites implanted with rhGDF-5 (1 and 100 microg) compared with control (phealing/regeneration in intrabony periodontal defects without complications.

Defects improved photocatalytic ability of TiO2

International Nuclear Information System (INIS)

Li, Lei; Tian, Hong-Wei; Meng, Fan-Ling; Hu, Xiao-Ying; Zheng, Wei-Tao; Sun, Chang Q.

2014-01-01

Highlights: • Defect improves the photocatalytic ability by band gap narrowing and carrier life prolonging. • Atomic undercoordination shortens the local bonds, entraps, and polarizes electrons. • Polarization lowers the local workfunction and lengthens carrier life. • Entrapment and polarization narrows the band gap tuning the wavelength of absorption. - Abstract: Defect generation forms an important means modulating the photocatalytic ability of TiO 2 with mechanisms that remain yet unclear. Here we show that a spectral distillation clarifies the impact of defect on modulating the band gap, electroaffinity, and work function of the substance. Firstly, by analyzing XPS measurements, we calibrated the 2p 3/2 level of 451.47 eV for an isolated Ti atom and its shifts by 2.14 and 6.94 eV, respectively, upon Ti and TiO 2 bulk formation. Spectral difference between the defected and the un-defected TiO 2 skin revealed then that the 2p 3/2 level shifts further from 6.94 to 9.67 eV due to the defect-induced quantum entrapment. This entrapment is associated with an elevation of the upper edges of both the 2p 3/2 and the conduction band by polarization. The shortening and strengthening of bonds between undercoordinated atoms densify and entrap the core electrons, which in turn polarize the dangling bond electrons of defect atoms. The entrapment and polarization mediate thus the band gap, the electroaffinity, the work function, and the photocatalytic ability of TiO 2

Diffusion-driven and excitation-dependent recombination rate in blue InGaN/GaN quantum well structures

International Nuclear Information System (INIS)

Aleksiejūnas, R.; Gelžinytė, K.; Nargelas, S.; Jarašiūnas, K.; Vengris, M.; Armour, E. A.; Byrnes, D. P.; Arif, R. A.; Lee, S. M.; Papasouliotis, G. D.

2014-01-01

We report on diffusion-driven and excitation-dependent carrier recombination rate in multiple InGaN/GaN quantum wells by using photoluminescence, light-induced absorption, and diffraction techniques. We demonstrate gradually increasing with excitation carrier diffusivity and its correlation with the recombination rate. At low carrier densities, an increase in radiative emission and carrier lifetime was observed due to partial saturation of non-radiative recombination centers. However, at carrier densities above ∼5 × 10 18  cm −3 , a typical value of photoluminescence efficiency droop, a further increase of diffusivity forces the delocalized carriers to face higher number of fast non-radiative recombination centers leading to an increase of non-radiative losses

Diffusion-driven and excitation-dependent recombination rate in blue InGaN/GaN quantum well structures

Energy Technology Data Exchange (ETDEWEB)

Aleksiejūnas, R.; Gelžinytė, K.; Nargelas, S., E-mail: saulius.nargelas@ff.vu.lt; Jarašiūnas, K. [Department of Semiconductor Optoelectronics, Institute of Applied Research, Vilnius University, Saulėtekio 9–III, 10222 Vilnius (Lithuania); Vengris, M. [Laser Research Center, Vilnius University, Saulėtekio 10, 10223 Vilnius (Lithuania); Armour, E. A.; Byrnes, D. P.; Arif, R. A.; Lee, S. M.; Papasouliotis, G. D. [Veeco Instruments, Turbodisc Operations, 394 Elizabeth Avenue, Somerset, New Jersey 08873 (United States)

2014-01-13

We report on diffusion-driven and excitation-dependent carrier recombination rate in multiple InGaN/GaN quantum wells by using photoluminescence, light-induced absorption, and diffraction techniques. We demonstrate gradually increasing with excitation carrier diffusivity and its correlation with the recombination rate. At low carrier densities, an increase in radiative emission and carrier lifetime was observed due to partial saturation of non-radiative recombination centers. However, at carrier densities above ∼5 × 10{sup 18} cm{sup −3}, a typical value of photoluminescence efficiency droop, a further increase of diffusivity forces the delocalized carriers to face higher number of fast non-radiative recombination centers leading to an increase of non-radiative losses.

Exploring atomic defects in molybdenum disulphide monolayers

KAUST Repository

Hong, Jinhua; Hu, Zhixin; Probert, Matt; Li, Kun; Lv, Danhui; Yang, Xinan; Gu, Lin; Mao, Nannan; Feng, Qingliang; Xie, Liming; Zhang, Jin; Wu, Dianzhong; Zhang, Zhiyong; Jin, Chuanhong; Ji, Wei; Zhang, Xixiang; Yuan, Jun; Zhang, Ze

2015-01-01

Defects usually play an important role in tailoring various properties of two-dimensional materials. Defects in two-dimensional monolayer molybdenum disulphide may be responsible for large variation of electric and optical properties. Here we present a comprehensive joint experiment-theory investigation of point defects in monolayer molybdenum disulphide prepared by mechanical exfoliation, physical and chemical vapour deposition. Defect species are systematically identified and their concentrations determined by aberration-corrected scanning transmission electron microscopy, and also studied by ab-initio calculation. Defect density up to 3.5 × 10 13 cm '2 is found and the dominant category of defects changes from sulphur vacancy in mechanical exfoliation and chemical vapour deposition samples to molybdenum antisite in physical vapour deposition samples. Influence of defects on electronic structure and charge-carrier mobility are predicted by calculation and observed by electric transport measurement. In light of these results, the growth of ultra-high-quality monolayer molybdenum disulphide appears a primary task for the community pursuing high-performance electronic devices.

Exploring atomic defects in molybdenum disulphide monolayers

KAUST Repository

Hong, Jinhua

2015-02-19

Defects usually play an important role in tailoring various properties of two-dimensional materials. Defects in two-dimensional monolayer molybdenum disulphide may be responsible for large variation of electric and optical properties. Here we present a comprehensive joint experiment-theory investigation of point defects in monolayer molybdenum disulphide prepared by mechanical exfoliation, physical and chemical vapour deposition. Defect species are systematically identified and their concentrations determined by aberration-corrected scanning transmission electron microscopy, and also studied by ab-initio calculation. Defect density up to 3.5 × 10 13 cm \\'2 is found and the dominant category of defects changes from sulphur vacancy in mechanical exfoliation and chemical vapour deposition samples to molybdenum antisite in physical vapour deposition samples. Influence of defects on electronic structure and charge-carrier mobility are predicted by calculation and observed by electric transport measurement. In light of these results, the growth of ultra-high-quality monolayer molybdenum disulphide appears a primary task for the community pursuing high-performance electronic devices.

Minority-carrier injection-enhanced annealing of radiation damage to InGaP solar cells

International Nuclear Information System (INIS)

Yamaguchi, M.; Okuda, T.; Taylor, S.J.

1997-01-01

The observation of minority-carrier injection-enhanced annealing of radiation-induced defects in InGaP is reported. 1-MeV electron irradiation results demonstrate superior radiation-resistance of InGa 0.5 P 0.5 solar cells compared to GaAs-on-Ge cells. Moreover, minority-carrier injection under forward bias conditions is shown to enhance defect annealing in InGaP and to result in the recovery of InGaP solar cell properties. These results suggest that the radiation-resistance of InGaP-based devices such as InGaP/GaAs(/Ge) multijunction solar cells and InGaP(As) light-emitting devices is further improved under minority-carrier injection condition. copyright 1997 American Institute of Physics

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

Science.gov (United States)

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.

Defect diffusion during annealing of low-energy ion-implanted silicon

International Nuclear Information System (INIS)

Bedrossian, P.J.; Caturla, M.J.; Diaz de la Rubia, T.

1997-01-01

The authors present a new approach for investigating the kinetics of defect migration during annealing of low-energy, ion-implanted silicon, employing a combination of computer simulations and atomic-resolution tunneling microscopy. Using atomically-clean Si(111)-7 x 7 as a sink for bulk point defects created by 5 keV Xe and Ar irradiation, they observe distinct, temperature-dependent surface arrival rates for vacancies and interstitials. A combination of simulation tools provides a detailed description of the processes that underlie the observed temperature-dependence of defect segregation, and the predictions of the simulations agree closely with the experimental observations

Durch intrinsische defekte induzierte uphill-diffusion von Ag und Cu in CdTe

CERN Document Server

Wagner, Frank

In the framework of the present thesis, the diffusion of Ag in CdTe was investigated by the radiotracer $^{111}$Ag. Thereby the focus was on the possibility to create a Ag flux from regions of low Ag concentration to regions of high Ag concentration (uphill diffusion). The experimentally observed diffusion profiles are explained in the framework of a thermodynamic diffusion model, taking into account the defect charge state and the defect interaction. The distribution of the charged defects produces a electric field, which leads to a drift of the charged defects. The experimental data are well explained assuming that Ag is incorporated interstitially and ionized (Agi$^{+}$). The Agi$^{+}$ concentration then reflects the profile of the Fermi level, which again is determined by the intrinsic defect distribution or, more precisely, the deviation from stoichiometry. On the basis of the experimental data it is possible to gather information on the thermodynamic properties of extrinsic as well as intrinsic defects....

Point defects and defect clusters examined on the basis of some fundamental experiments

International Nuclear Information System (INIS)

Zuppiroli, L.

1975-01-01

On progressing from the centre of the defect to the surface the theoretical approach to a point defect passes from electronic theories to elastic theory. Experiments by which the point defect can be observed fall into two categories. Those which detect long-range effects: measurement of dimensional variations in the sample; measurement of the mean crystal parameter variation; elastic X-ray scattering near the nodes of the reciprocal lattice (Huang scattering). Those which detect more local effects: low-temperature resistivity measurement; positron capture and annihilation; local scattering far from the reciprocal lattice nodes. Experiments involving both short and long-range effects can always be found. This is the case for example with the dechanneling of α particles by defects. Certain of the experimental methods quoted above apply also to the study of point defect clusters. These methods are illustrated by some of their most striking results which over the last twenty years have refined our knowledge of point defects and defect clusters: length and crystal parameter measurements; diffuse X-ray scattering; low-temperature resistivity measurements; ion emission microscopy; electron microscopy; elastoresistivity [fr

Effects of impurities on radiation damage in InP

International Nuclear Information System (INIS)

Yamaguchi, M.; Ando, K.

1986-01-01

Strong impurity effects upon introduction and annealing behavior of radiation-induced defects in InP irradiated with 1-MeV electrons have been found. The main defect center of 0.37-eV hole trap H4 in p-InP, which must be due to a point defect, is annealed even at room temperature. Its annealing rate is found to be proportional to the 2/3 power of the preirradiation carrier concentration in InP. Moreover, the density of the hole trap H5 (E/sub v/+0.52 eV) in p-InP, which must be due to a point defect--impurity complex, increases with increase in the InP carrier concentration. These results suggest that the radiation-induced defects in InP must recover through long-range diffusion mediated by impurity atoms. A model is proposed in which point defects diffuse to sinks through impurities so as to disappear or bind impurities so as to form point defect--impurity complexes. In addition to the long-range diffusion mechanism, the possibility of charge-state effects responsible for the thermal annealing of radiation-induced defects in InP is also discussed

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

Energy Technology Data Exchange (ETDEWEB)

Varley, J. B.; Lordi, V. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); He, X.; Rockett, A. [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

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 strongly 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.

Deep-level defects introduced by 1 MeV electron radiation in AlInGaP for multijunction space solar cells

International Nuclear Information System (INIS)

Lee, H.S.; Yamaguchi, M.; Ekins-Daukes, N. J.; Khan, A.; Takamoto, T.; Agui, T.; Kamimura, K.; Kaneiwa, M.; Imaizumi, M.; Ohshima, T.; Itoh, H.

2005-01-01

Presented in this paper are 1 MeV electron irradiation effects on wide-band-gap (1.97 eV) (Al 0.08 Ga 0.92 ) 0.52 In 0.48 P diodes and solar cells. The carrier removal rate estimated in p-AlInGaP with electron fluence is about 1 cm -1 , which is lower than that in InP and GaAs. From high-temperature deep-level transient spectroscopy measurements, a deep-level defect center such as majority-carrier (hole) trap H2 (E ν +0.90±0.05 eV) was observed. The changes in carrier concentrations (Δp) and trap densities as a function of electron fluence were compared, and as a result the total introduction rate, 0.39 cm -1 , of majority-carrier trap centers (H1 and H2) is different from the carrier removal rate, 1 cm -1 , in p-AlInGaP. From the minority-carrier injection annealing (100 mA/cm 2 ), the annealing activation energy of H2 defect is ΔE=0.60 eV, which is likely to be associated with a vacancy-phosphorus Frenkel pair (V p -P i ). The recovery of defect concentration and carrier concentration in the irradiated p-AlInGaP by injection relates that a deep-level defect H2 acts as a recombination center as well as compensator center

Selective laser-induced photochemical dry etching of semiconductors controlled by ion-bombardment-induced damage

International Nuclear Information System (INIS)

Ashby, C.I.H.; Myers, D.R.; Vook, F.L.

1987-01-01

When a photochemical dry etching process requires direct participation of photogenerated carriers in the chemical reaction, it is sensitive to the electronic properties of the semiconductor. For such solid-excitation-based dry etching processes, the balance between reaction and carrier recombination rates determines the practical utility of a particular reaction for device fabrication. The distance from the surface at which the photocarriers are generated by light adsorption is determined by the absorption coefficient. In the absence of an external bias potential, only those carriers formed within a diffusion length of the surface space-charge region will have an opportunity to drive the dry etching reaction. When the absorption coefficient is high, most of the photons generate carriers within a diffusion length from the surface space-charge region, and the etching rate is largely determined by the balance between the rate of the carrier-driven reaction and the surface recombination velocity. When the recombination rate of free carriers in the bulk of the semiconductor is high, the effective diffusion length is reduced and fewer of the carriers generated in the subsurface region ever reach the surface. An important effect of ion bombardment is the creation of many lattice defects that increase the rate of recombination of electrons and holes. When a sufficient number of defects, which act as recombination sites, are formed during ion implantation, the recombination of photogenerated carriers at these defects in the subsurface region can greatly reduce the number of carriers which can reach the surface and drive a photochemical etching reaction

Vacancy defect and defect cluster energetics in ion-implanted ZnO

Science.gov (United States)

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.

Exploring and Controlling Intrinsic Defect Formation in SnO2 Thin Films

KAUST Repository

Porte, Yoann; Maller, Robert; Faber, Hendrik; Alshareef, Husam N.; Anthopoulos, Thomas D; McLachlan, Martyn

2015-01-01

By investigating the influence of key growth variables on the measured structural and electrical properties of SnO2 prepared by Pulsed Laser Deposition (PLD) we demonstrate fine control of intrinsic n-type defect formation. Variation of growth temperatures shows oxygen vacancies (VO) as the dominant defect which can be compensated for by thermal oxidation at temperatures > 500°C. As a consequence films with carrier concentrations in the range 1016-1019 cm-3 can be prepared by adjusting temperature alone. By altering the background oxygen pressure (PD) we observe a change in the dominant defect - from tin interstitials (Sni) at low PD (< 50 mTorr) to VO at higher oxygen pressures with similar ranges of carrier concentrations observed. Finally we demonstrate the importance of controlling the composition target surface used for PLD by exposing a target to > 100,000 laser pulses. Here carrier concentrations > 1x1020 cm-3 are observed that are attributed to high concentrations of Sni which cannot be completely compensated for by modifying the growth parameters.

Exploring and Controlling Intrinsic Defect Formation in SnO2 Thin Films

KAUST Repository

Porte, Yoann

2015-12-15

By investigating the influence of key growth variables on the measured structural and electrical properties of SnO2 prepared by Pulsed Laser Deposition (PLD) we demonstrate fine control of intrinsic n-type defect formation. Variation of growth temperatures shows oxygen vacancies (VO) as the dominant defect which can be compensated for by thermal oxidation at temperatures > 500°C. As a consequence films with carrier concentrations in the range 1016-1019 cm-3 can be prepared by adjusting temperature alone. By altering the background oxygen pressure (PD) we observe a change in the dominant defect - from tin interstitials (Sni) at low PD (< 50 mTorr) to VO at higher oxygen pressures with similar ranges of carrier concentrations observed. Finally we demonstrate the importance of controlling the composition target surface used for PLD by exposing a target to > 100,000 laser pulses. Here carrier concentrations > 1x1020 cm-3 are observed that are attributed to high concentrations of Sni which cannot be completely compensated for by modifying the growth parameters.

Drift-Diffusion Equation

Directory of Open Access Journals (Sweden)

K. Banoo

1998-01-01

equation in the discrete momentum space. This is shown to be similar to the conventional drift-diffusion equation except that it is a more rigorous solution to the Boltzmann equation because the current and carrier densities are resolved into M×1 vectors, where M is the number of modes in the discrete momentum space. The mobility and diffusion coefficient become M×M matrices which connect the M momentum space modes. This approach is demonstrated by simulating electron transport in bulk silicon.

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

Science.gov (United States)

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

The investigation of radiation induced defects in MgO

International Nuclear Information System (INIS)

Puetz, M.

1990-05-01

In this paper Frenkel defects were induced in MgO by 3 MeV electrons at low temperature. These defects were investigated by measurements of the optical absorption, by investigating the lattice parameters and Huang diffuse scattering. (WL)

Two dimensional numerical simulations of carrier dynamics during time-resolved photoluminescence decays in two-photon microscopy measurements in semiconductors

International Nuclear Information System (INIS)

Kanevce, Ana; Kuciauskas, Darius; Levi, Dean H.; Johnston, Steven W.; Allende Motz, Alyssa M.

2015-01-01

We use two-dimensional numerical simulations to analyze high spatial resolution time-resolved spectroscopy data. This analysis is applied to two-photon excitation time-resolved photoluminescence (2PE-TRPL) but is broadly applicable to all microscopic time-resolved techniques. By solving time-dependent drift-diffusion equations, we gain insight into carrier dynamics and transport characteristics. Accurate understanding of measurement results establishes the limits and potential of the measurement and enhances its value as a characterization method. Diffusion of carriers outside of the collection volume can have a significant impact on the measured decay but can also provide an estimate of carrier mobility as well as lifetime. In addition to material parameters, the experimental conditions, such as spot size and injection level, can impact the measurement results. Although small spot size provides better resolution, it also increases the impact of diffusion on the decay; if the spot size is much smaller than the diffusion length, it impacts the entire decay. By reproducing experimental 2PE-TRPL decays, the simulations determine the bulk carrier lifetime from the data. The analysis is applied to single-crystal and heteroepitaxial CdTe, material important for solar cells, but it is also applicable to other semiconductors where carrier diffusion from the excitation volume could affect experimental measurements

Capacity spectroscopy of minority-carrier radiation traps in n-type silicon

International Nuclear Information System (INIS)

Kuchinskij, P.V.; Lomako, V.M.; Shakhlevich, L.N.

1987-01-01

Minority charge-carrier radiation traps in n-silicon, produced by neutron transmutation doping (NTD) and zone melting method, were studied using unsteady capacity spectroscopy method. Studying the parameters of defects, formed in the lower half of the restricted zone, was performed using minority carrier injection by forward current pulses. Samples were p + -n-structures, produced on the basis of silicon with different oxygen content. It is shown, that a trap with activation energy ≅E v +0.34 eV appears to be the main defect in oxygen p-silicon. Investigation into thermal stability has shown, that centers with E v +0.34 eV and E v +0.27 eV activation energies are annealed within the same temperature interval (300-400 deg C)

Low-temperature annealing of radiation defects in electron-irradiated gallium phosphide

International Nuclear Information System (INIS)

Kolb, A.A.; Megela, I.G.; Buturlakin, A.P.; Goyer, D.B.

1990-01-01

The isochronal annealing of radiation defects in high-energy electron irradiated n-GaP monocrystals within the 77 to 300 K range has been investigated by optical and electrical techniques. The changes in conductance and charge carrier mobility as functions of annealing temperature as well as the variation of optical absorption spectra of GaP under irradiation and annealing provide evidence that most of radiation defects are likely secondary complexes of defects

Acid extraction by supported liquid membranes containing basic carriers

International Nuclear Information System (INIS)

Danesi, P.R.; Cianetti, C.; Horwitz, E.P.

1983-01-01

The extraction of HNO 3 (nitric acid) from aqueous solutions by permeation through a number of supported liquid membranes containing basic carriers dissolved in diethylbenzene has been studied. The results have shown that the best permeations are obtained with long chain aliphatic amines (TLA, Primene JM-T) followed by TOPO (trioctylphosphine oxide) and then by other monofunctional and bifunctional organophosphorous basic carriers. The influence of an aliphatic diluent on the permeability of HNO 3 through a supported liquid membrane containing TLA as carrier was also investigated. In this case the permeability to HNO 3 decreases as a result of the lower diffusion coefficient of the acid-carrier complex in the more vicous aliphatic solvent. 4 figures

Probing the diffuse interstellar medium with diffuse interstellar bands

Science.gov (United States)

Theodorus van Loon, Jacco; Bailey, Mandy; Farhang, Amin; Javadi, Atefeh; Khosroshahi, Habib

2015-08-01

For a century already, a large number of absorption bands have been known at optical wavelengths, called the diffuse interstellar bands (DIBs). While their carriers remain unidentified, the relative strengths of these bands in various environments make them interesting new probes of the diffuse interstellar medium (ISM). We present the results from two large, dedicated campaigns to map the ISM using DIBs measured in the high signal-to-noise spectra of hundreds of early-type stars: [1] in and around the Local Bubble using ESO's New Technology Telescope and the Isaac Newton Telescope, and [2] across both Magellanic Clouds using the Very Large Telescope and the Anglo-Australian Telescope. We discuss the implications for the structure and dynamics of the ISM, as well as the constraints these maps place on the nature of the carriers of the DIBs. Partial results have appeared in the recent literature (van Loon et al. 2013; Farhang et al. 2015a,b; Bailey, PhD thesis 2014) with the remainder being prepared for publication now.

Function of TiO2 Lattice Defects toward Photocatalytic Processes: View of Electronic Driven Force

Directory of Open Access Journals (Sweden)

Huanan Cui

2013-01-01

Full Text Available Oxygen vacancies and Ti-related defects (OTDs are the main lattice defects of TiO2, which have great influence on its photocatalytic activity. To understand the relationship between the defects and photocatalytic activities, detailed discussions based on the electronic driven force provided by these defects are carried out during the three commonly accepted processes in photocatalytic reactions. It is found that these defects inevitably (i influence the energy structure of the pristine TiO2 as the isolate acceptor/donor level or hybrid with the original orbital, (ii provide a disordered short-range force that confuses the charge carriers transferring to surface active sites, (iii act not only as the surface active sites for trapping the charge carriers but also as the main chemisorption sites for O2, H2O, and organic species. These effects of the defects make them one of the key factors that determine the efficiency of heterogeneous photocatalysis. Clarifying the role of the defects will further facilitate the exploration and the construction of high-performance photocatalysts for practical applications.

Diffusion of zinc into an unpassivated surface of indium phosphide

International Nuclear Information System (INIS)

Budko, T.O.; Gushchinskaya, E.V.; Emelyanenko, Yu.S.; Malyshev, S.A.

1989-01-01

Peculiarities are studied of the diffusion of Zn into an unpassivated surface of InP in an open gasflow system. In the region where the carrier concentration profile is described by an erfc (error function compliment), the diffusion coefficient and activation energy are determined. It is shown that thermal processes cause changes in the charge state of Zn in InP which result in a variation of the carrier profile in the semiconductor. (author)

Transient enhanced diffusion of dopants in preamorphized Si layers

International Nuclear Information System (INIS)

Claverie, A.; Bonafos, C.; Omri, M.; Mauduit, B. de; Ben Assayag, G.; Martinez, A.; Alquier, D.; Mathiot, D.

1997-01-01

Transient Enhanced Diffusion (TED) of dopants in Si is the consequence of the evolution, upon annealing, of a large supersaturation of Si self-interstitial atoms left after ion bombardment. In the case of amorphizing implants, this supersaturation is located just beneath the c/a interface and evolves through the nucleation and growth of End-Of-Range (EOR) defects. For this reason, the authors discuss here the relation between TED and EOR defects. Modelling of the behavior of these defects upon annealing allows one to understand why and how they affect dopant diffusion. This is possible through the development of the Ostwald ripening theory applied to extrinsic dislocation loops. This theory is shown to be readily able to quantitatively describe the evolution of the defect population (density, size) upon annealing and gives access to the variations of the mean supersaturation of Si self-interstitial atoms between the loops and responsible for TED. This initial supersaturation is, before annealing, at least 5 decades larger than the equilibrium value and exponentially decays with time upon annealing with activation energies that are the same than the ones observed for TED. It is shown that this time decay is precisely at the origin of the transient enhancement of boron diffusivity through the interstitial component of boron diffusion. Side experiments shed light on the effect of the proximity of a free surface on the thermal behavior of EOR defects and allow us to quantitatively describe the space and time evolutions of boron diffusivity upon annealing of preamorphized Si layers

Results on positron diffusion in Si

International Nuclear Information System (INIS)

Nielsen, B.; Lynn, K.G.; Vehanen, A.; Schultz, P.J.

1984-10-01

Positron diffusion in Si(100) and Si(111) has been measured using a variable energy positron beam. The diffusion related parameter, E 0 is found to be 4.2 +- 0.2 keV, significantly longer than previously reported values. The positron diffusion coefficient is estimated at D/sub +/ = 2.3 +- 0.4 cm 2 /sec, the uncertainty arising mainly from the characteristics of the assumed positron implantation profile. A drastic reduction in E 0 is found after heating the sample to 1300 0 K, showing that previously reported low values of E 0 are associated with the thermal history of the sample. A high sensitivity to defects introduced by low energy ion bombardment is found, and the defect recovery was followed during heat treatments. Reconstruction of the Si(111) surface into the so-called 7 x 7 structure had no detectable influence on the positron diffusion behavior. No changes in the positron diffusion was observed after covering the surface with atomic hydrogen. However the yield of positronium formation at the surface was enhanced, attributed to an increased density of states at the surface

Charge carrier transport in Cu(In,Ga)Se2 thin-film solar-cells studied by electron beam induced current and temperature and illumination dependent current voltage analysis

International Nuclear Information System (INIS)

Nichterwitz, Melanie

2012-01-01

This work contributes to the understanding of generation dependent charge-carrier transport properties in Cu(In,Ga)Se 2 (CIGSe)/ CdS/ ZnO solar cells and a consistent model for the electronic band diagram of the heterojunction region of the device is developed. Cross section electron-beam induced current (EBIC) and temperature and illumination dependent current voltage (IV) measurements are performed on CIGSe solar cells with varying absorber layer compositions and CdS thickness. For a better understanding of possibilities and limitations of EBIC measurements applied on CIGSe solar cells, detailed numerical simulations of cross section EBIC profiles for varying electron beam and solar cell parameters are performed and compared to profiles obtained from an analytical description. Especially the effects of high injection conditions are considered. Even though the collection function of the solar cell is not independent of the generation function of the electron beam, the local electron diffusion length in CIGSe can still be extracted. Grain specific values ranging from (480±70) nm to (2.3±0.2) μm are determined for a CuInSe 2 absorber layer and a value of (2.8±0.3) μm for CIGSe with a Ga-content of 0.3. There are several models discussed in literature to explain generation dependent charge carrier transport, all assuming a high acceptor density either located in the CIGSe layer close to the CIGSe/CdS interface (p + layer), within the CdS layer or at the CdS/ZnO interface. In all models, a change in charge carrier collection properties is caused by a generation dependent occupation probability of the acceptor type defect state and the resulting potential distribution throughout the device. Numerical simulations of EBIC and IV data are performed with parameters according to these models. The model that explains the experimental data best is that of a p + layer at the CIGSe/CdS interface and acceptor type defect states at the CdS/ZnO interface. The p + layer leads

Annealing and cluster formation of defects in a cascade

International Nuclear Information System (INIS)

Martynenko, Yu.V.

1975-01-01

The behaviour of radiative defects after a dynamic cascade of atomic collisions caused by irradiation by neutrons or accelerated heavy ions if theoretically investigated. In investig.ation, apart from processes of vacancy recombination, cluster formation and interstitial atoms the diffusive ''spreading'' of point defects from the initial region is taken into account. Since interstitial atoms are more mobile, all the processes are divided into two stages: at the first stage only interstitial atoms diffuse, and vacancies are stationary; at the second stage vacancies are mobile, and interstitial atoms are either ''spread'' over the whole volume, or are united into stable clusters. The number of defects and clusters is calculated depending on energy of cascade, atomic number of the material and temperature

Tellurium self-diffusion and point defects in lead telluride

International Nuclear Information System (INIS)

Simirskij, Yu.N.; Firsova, L.P.

1982-01-01

Method of radioactive indicators was used to determine factors of tellurium self-diffusion in lead telluride with different deviation of the composition from stoichiometric in the range of enrichment by tellurium. It was found that at 973 K factors of tellurium self-diffusion in lead telluride depend slightly on the vapor pressure of tellurium equilibrium with solid phase

Radiation enhanced diffusion in FCC alloys

International Nuclear Information System (INIS)

Schuele, W.

1982-01-01

In many alloys vacancies and interstitials can be identified in a straight forward way by measurements of radiation enhanced diffusion. In some alloys, however, quenching experiments are also necessary for the identification of these defects. Results for two characteristic alloys in which the transformation rate during high energy particle irradiation is determined by an interstitialcy and by a vacancy diffusion mechanism only, are discussed. It is also shown that a decrease of the migration energy of defects due to an interaction of the high energy particles with the lattice atoms must be taken into account in the interpretation of the results. (author)

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

Science.gov (United States)

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.

Observation of point defects in impurity-doped zinc selenide films using a monoenergetic positron beam

International Nuclear Information System (INIS)

Miyajima, T.; Okuyama, H.; Akimoto, K.; Mori, Y.; Wei, L.; Tanigawa, S.

1992-01-01

We studied point defects in ZnSe films grown by molecular beam epitaxy using the positron annihilation method. We found that doping with Ga atoms induces vacancy-type defects such as Zn vacancies, and that heavy doping with oxygen atoms induces interstitial type defects. We think that these defects are one of the causes of active carrier saturation in doped ZnSe films. (author)

Screening in crystalline liquids protects energetic carriers in hybrid perovskites

Science.gov (United States)

Zhu, Haiming; Miyata, Kiyoshi; Fu, Yongping; Wang, Jue; Joshi, Prakriti; Niesner, Daniel; Williams, Kristopher; Jin, Song; Zhu, Xiaoyang

Hybrid lead halide perovskites exhibit carrier properties that resemble those of pristine nonpolar semiconductors despite static and dynamic disorder, but how carriers are protected from efficient scattering with charged defects and optical phonons is unknown. Here, we reveal the carrier protection mechanism by comparing three single-crystal lead bromide perovskites: CH3NH3PbBr3, CH(NH2)2PbBr3, and CsPbBr3. We observed hot fluorescence emission from energetic carriers with 102 picosecond lifetimes in CH3NH3PbBr3 or CH(NH,SUB>2)2PbBr3, but not in CsPbBr3. The hot fluorescence is correlated with liquid-like molecular reorientational motions, suggesting that dynamic screening protects energetic carriers via solvation or large polaron formation on time scales competitive with that of ultrafast cooling. Similar protections likely exist for band-edge carriers. The long-lived energetic carriers may enable hot-carrier solar cells with efficiencies exceeding the Shockley-Queisser limit. This work was supported by U.S. Department of Energy Grant ER46980, National Science Foundation, Grant DMR 1420634 (MRSEC), and Department of Energy Award DE-FG02-09ER46664.

Modeling of carrier dynamics in quantum-well electroabsorption modulators

DEFF Research Database (Denmark)

Højfeldt, Sune; Mørk, Jesper

2002-01-01

We present a comprehensive drift-diffusion-type electroabsorption modulator (EAM) model. The model allows us to investigate both steady-state properties and to follow the sweep-out of carriers after pulsed optical excitation. Furthermore, it allows for the investigation of the influence that vari...... in the field near each well affect the escape of carriers from that well. Finally, we look at the influence that the separate-confinement heterostructure barriers have on the carrier sweep-out....... that various design parameters have on the device properties, in particular how they affect the carrier dynamics and the corresponding field dynamics. A number of different types of results are presented. We calculate absorption spectra and steady-state field screening due to carrier pile-up at the separate......-confinement heterobarriers. We then move on to look at carrier sweep-out upon short-pulse optical excitation. For a structure with one well, we analyze how the well position affects the carrier sweep-out and the absorption recovery. We calculate the field dynamics in a multiquantum-well structure and discuss how the changes...

Three dimensional simulated modelling of diffusion capacitance of ...

African Journals Online (AJOL)

A three dimensional (3-D) simulated modelling was developed to analyse the excess minority carrier density in the base of a polycrystalline bifacial silicon solar cell. The concept of junction recombination velocity was ado-pted to quantify carrier flow through the junction, and to examine the solar cell diffusion capacitance for ...

Study on defects and impurities in cast-grown polycrystalline silicon substrates for solar cells

International Nuclear Information System (INIS)

Arafune, K.; Sasaki, T.; Wakabayashi, F.; Terada, Y.; Ohshita, Y.; Yamaguchi, M.

2006-01-01

We focused on the defects and impurities in polycrystalline silicon substrates, which deteriorate solar cell efficiency. Comparison of the minority carrier lifetime with the grain size showed that the region with short minority carrier lifetimes did not correspond to the region with small grains. Conversely, the minority carrier lifetime decreased as the etch-pit density (EPD) increased, suggesting that the minority carrier lifetime is strongly affected by the EPD. Electron beam induced current measurements revealed that a combination of grain boundaries and point defects had high recombination activity. Regarding impurities, the interstitial oxygen concentration was relatively low compared with that in a Czochralski-grown silicon substrate, the total carbon concentration exceeded the solubility limit of silicon melt. X-ray microprobe fluorescence measurements revealed a large amount of iron in the regions where there were many etch-pits and grain boundaries with etch-pits. X-ray absorption near edge spectrum analysis revealed trapped iron in the form of oxidized iron

Diffusive, Structural, Optical, and Electrical Properties of Defects in Semiconductors

CERN Multimedia

Wagner, F E

2002-01-01

Electronic properties of semiconductors are extremely sensitive to defects and impurities that have localized electronic states with energy levels in the band gap of the semiconductor. Spectroscopic techniques like photoluminescence (PL), deep level transient spectroscopy (DLTS), or Hall effect, that are able to detect and characterize band gap states do not reveal direct information about their microscopic origin. To overcome this chemical "blindness", the present approach is to use radioactive isotopes as a tracer. Moreover, the recoil energies involved in $\\beta$ and $\\gamma$-decays can be used to create intrinsic isolated point defects (interstitials, vacancies) in a controlled way. A microscopic insight into the structure and the thermodynamic properties of complexes formed by interacting defects can be gained by detecting the hyperfine interaction between the nuclear moments of radioactive dopants and the electromagnetic fields present at the site of the radioactive nucleus. The understanding and the co...

Detection of defects on the metal surface using the modulated microwave

International Nuclear Information System (INIS)

Joo, Gwang Tae; Jeong, Sung Hae; Song, Ki Young; Kim, Jin Ouk

1996-01-01

The defects on the metal surface, like as ended circular pressed hole, penetrated circular drilled hole and linear hollow lane(ended linear crack), are tested by method of reflection, transmission, fixed carrier frequency and mod-demodulation techniques using microwave horn antenna and rectangular waveguide on 9.2 GHz carrier and 3 kHz modulation frequency. In the cases of ended circular hole and penetrated hole defects, the magnitude of reflection signals changed extremely, and the results on the defects' sizes are enlarge d by about 2.5 times at the ended hole and decreased by about 75% at the penetrate d hole. And in the cases of linear hollow lane, depths are 0.45 mm, 1.2 mm and 2.4 mm, the measured results on average increasing rate of detected reflection signals according to crack widths are 0.46 mV/mm, 0.32 mV/mm and 0.23 mV/mm each, for length of lane 150 mm.

Generated carrier dynamics in V-pit enhanced InGaN/GaN light emitting diode

KAUST Repository

Ajia, Idris A.

2017-12-18

We investigate the effects of V-pits on the optical properties of a state-of-the art highly efficient, blue InGaN/GaN multi-quantum-well (MQW) light emitting diode (LED) with high internal quantum efficiency (IQE) of > 80%. The LED is structurally enhanced by incorporating pre-MQW InGaN strain-relief layer with low InN content and patterned sapphire substrate. For comparison, a conventional (unenhanced) InGaN/GaN MQW LED (with IQE of 46%) grown under similar conditions was subjected to the same measurements. Scanning transmission electron microscopy (STEM) reveals the absence of V-pits in the unenhanced LED, whereas in the enhanced LED, V-pits with {10-11} facets, emerging from threading dislocations (TDs) were prominent. Cathodoluminescence mapping reveals the luminescence properties near the V-pits, showing that the formation of V-pit defects can encourage the growth of defect-neutralizing barriers around TD defect states. The diminished contribution of TDs in the MQWs allows indium-rich localization sites to act as efficient recombination centers. Photoluminescence and time-resolved spectroscopy measurements suggest that the V-pits play a significant role in the generated carrier rate and droop mechanism, showing that the quantum confined Stark effect is suppressed at low generated carrier density, after which the carrier dynamics and droop are governed by the carrier overflow effect.

Point defect thermodynamics and diffusion in Fe3C: A first-principles study

International Nuclear Information System (INIS)

Chao Jiang; Uberuaga, B.P.; Srinivasan, S.G.

2008-01-01

The point defect structure of cementite (Fe 3 C) is investigated using a combination of the statistical mechanical Wagner-Schottky model and first-principles calculations within the generalized gradient approximation. Large 128-atom supercells are employed to obtain fully converged point defect formation energies. The present study unambiguously shows that carbon vacancies and octahedral carbon interstitials are the structural defects in C-depleted and C-rich cementite, respectively. The dominant thermal defects in C-depleted and stoichiometric cementite are found to be carbon Frenkel pairs. In C-rich cementite, however, the primary thermal excitations are strongly temperature-dependent: interbranch, Schottky and Frenkel defects dominate successively with increasing temperature. Using the nudged elastic band technique, the migration barriers of major point defects in cementite are also determined and compared with available experiments in the literature

Diffusion length in nanoporous TiO2 films under above-band-gap illumination

Directory of Open Access Journals (Sweden)

J. D. Park

2014-06-01

Full Text Available We determined the carrier diffusion lengths in TiO2 nanoporous layers of dye-sensitized solar cells by using scanning photocurrent microscopy using an ultraviolet laser. Here, we excited the carrier directly in the nanoporous layers where the diffusion lengths were found to 140 μm as compared to that of visible illumination measured at 90 μm. The diffusion length decreased with increasing laser modulation frequency, in which we determined the electron lifetimes and the diffusion coefficients for both visible and UV illuminations. The diffusion lengths have been studied in terms of the sintering temperatures for both cells with and without binding molecules. We found a strong correlation between the diffusion length and the overall light-to-current conversion efficiency, proving that improving the diffusion length and hence the interparticle connections, is key to improving cell efficiency.

Point defects and atomic transport in crystals

International Nuclear Information System (INIS)

Lidiard, A.B.

1981-02-01

There are two principle aspects to the theory of atomic transport in crystals as caused by the action of point defects, namely (1) the calculation of relevant properties of the point defects (energies and other thermodynamic characteristics of the different possible defects, activation energies and other mobility parameters) and (2) the statistical mechanics of assemblies of defects, both equilibrium and non-equilibrium assemblies. In the five lectures given here both these aspects are touched on. The first two lectures are concerned with the calculation of relevant point defect properties, particularly in ionic crystals. The first lecture is more general, the second is concerned particularly with some recent calculations of the free volumes of formation of defects in various ionic solids; these solve a rather long-standing problem in this area. The remaining three lectures are concerned with the kinetic theory of defects mainly in relaxation, drift and diffusion situations

Chloride diffusion in partially saturated cementitious material

DEFF Research Database (Denmark)

Nielsen, Erik Pram; Geiker, Mette Rica

2003-01-01

The paper proposes a combined application of composite theory and Powers' model for microstructural development for the estimation of the diffusion coefficient as a function of the moisture content of a defect-free cementitious material. Measurements of chloride diffusion in mortar samples (440 kg...

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

Science.gov (United States)

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

1D to 3D diffusion-reaction kinetics of defects in crystals

DEFF Research Database (Denmark)

Trinkaus, H.; Heinisch, H.L.; Barashev, A.V.

2002-01-01

Microstructural features evolving in crystalline solids from diffusion-reaction kinetics of mobile components depend crucially on the dimension of the underlying diffusion process which is commonly assumed to be three-dimensional (3D). In metals, irradiation-induced displacement cascades produce...... clusters of self-interstitials performing 1D diffusion. Changes between equivalent 1D diffusion paths and transversal diffusion result in diffusion-reaction kinetics between one and three dimensions. An analytical approach suggests a single-variable function (master curve) interpolating between the 1D...

Diffusion in silicon isotope heterostructures

Energy Technology Data Exchange (ETDEWEB)

Silvestri, Hughes Howland [Univ. of California, Berkeley, CA (United States)

2004-01-01

The simultaneous diffusion of Si and the dopants B, P, and As has been studied by the use of a multilayer structure of isotopically enriched Si. This structure, consisting of 5 pairs of 120 nm thick natural Si and ²⁸Si enriched layers, enables the observation of ³⁰Si self-diffusion from the natural layers into the ²⁸Si enriched layers, as well as dopant diffusion from an implanted source in an amorphous Si cap layer, via Secondary Ion Mass Spectrometry (SIMS). The dopant diffusion created regions of the multilayer structure that were extrinsic at the diffusion temperatures. In these regions, the Fermi level shift due to the extrinsic condition altered the concentration and charge state of the native defects involved in the diffusion process, which affected the dopant and self-diffusion. The simultaneously recorded diffusion profiles enabled the modeling of the coupled dopant and self-diffusion. From the modeling of the simultaneous diffusion, the dopant diffusion mechanisms, the native defect charge states, and the self- and dopant diffusion coefficients can be determined. This information is necessary to enhance the physical modeling of dopant diffusion in Si. It is of particular interest to the modeling of future electronic Si devices, where the nanometer-scale features have created the need for precise physical models of atomic diffusion in Si. The modeling of the experimental profiles of simultaneous diffusion of B and Si under p-type extrinsic conditions revealed that both species are mediated by neutral and singly, positively charged Si self-interstitials. The diffusion of As and Si under extrinsic n-type conditions yielded a model consisting of the interstitialcy and vacancy mechanisms of diffusion via singly negatively charged self-interstitials and neutral vacancies. The simultaneous diffusion of P and Si has been modeled on the basis of neutral and singly negatively charged self-interstitials and neutral and singly

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

Energy Technology Data Exchange (ETDEWEB)

Jiang, Minlin; Lan, Fei; Tao, Quan; Li, Guangyong, E-mail: gaod@pitt.edu, E-mail: gul6@pitt.edu [Department of Electrical and Computer Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Zhao, Bingxin [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Wu, Jiamin; Gao, Di, E-mail: gaod@pitt.edu, E-mail: gul6@pitt.edu [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States)

2016-06-13

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 of 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.

Non-monotonic effect of growth temperature on carrier collection in SnS solar cells

International Nuclear Information System (INIS)

Chakraborty, R.; Steinmann, V.; Mangan, N. M.; Brandt, R. E.; Poindexter, J. R.; Jaramillo, R.; Mailoa, J. P.; Hartman, K.; Polizzotti, A.; Buonassisi, T.; Yang, C.; Gordon, R. G.

2015-01-01

We quantify the effects of growth temperature on material and device properties of thermally evaporated SnS thin-films and test structures. Grain size, Hall mobility, and majority-carrier concentration monotonically increase with growth temperature. However, the charge collection as measured by the long-wavelength contribution to short-circuit current exhibits a non-monotonic behavior: the collection decreases with increased growth temperature from 150 °C to 240 °C and then recovers at 285 °C. Fits to the experimental internal quantum efficiency using an opto-electronic model indicate that the non-monotonic behavior of charge-carrier collection can be explained by a transition from drift- to diffusion-assisted components of carrier collection. The results show a promising increase in the extracted minority-carrier diffusion length at the highest growth temperature of 285 °C. These findings illustrate how coupled mechanisms can affect early stage device development, highlighting the critical role of direct materials property measurements and simulation

Distinction between the Poole-Frenkel and tunneling models of electric-field-stimulated carrier emission from deep levels in semiconductors

International Nuclear Information System (INIS)

Ganichev, S. D.; Ziemann, E.; Prettl, W.; Yassievich, I. N.; Istratov, A. A.; Weber, E. R.

2000-01-01

The enhancement of the emission rate of charge carriers from deep-level defects in electric field is routinely used to determine the charge state of the defects. However, only a limited number of defects can be satisfactorily described by the Poole-Frenkel theory. An electric field dependence different from that expected from the Poole-Frenkel theory has been repeatedly reported in the literature, and no unambiguous identification of the charge state of the defect could be made. In this article, the electric field dependencies of emission of carriers from DX centers in Al x Ga 1-x As:Te, Cu pairs in silicon, and Ge:Hg have been studied applying static and terahertz electric fields, and analyzed by using the models of Poole-Frenkel and phonon assisted tunneling. It is shown that phonon assisted tunneling and Poole-Frenkel emission are two competitive mechanisms of enhancement of emission of carriers, and their relative contribution is determined by the charge state of the defect and by the electric-field strength. At high-electric field strengths carrier emission is dominated by tunneling independently of the charge state of the impurity. For neutral impurities, where Poole-Frenkel lowering of the emission barrier does not occur, the phonon assisted tunneling model describes well the experimental data also in the low-field region. For charged impurities the transition from phonon assisted tunneling at high fields to Poole-Frenkel effect at low fields can be traced back. It is suggested that the Poole-Frenkel and tunneling models can be distinguished by plotting logarithm of the emission rate against the square root or against the square of the electric field, respectively. This analysis enables one to unambiguously determine the charge state of a deep-level defect. (c) 2000 The American Physical Society

Investigation of carrier removal in electron irradiated silicon diodes

International Nuclear Information System (INIS)

Taylor, S.J.; Yamaguchi, M.; Matsuda, S.; Hisamatsu, T.; Kawasaki, O.

1997-01-01

We present a detailed study of n + p p + silicon diodes irradiated with fluences of 1 MeV electrons high enough to cause device failure due to majority carrier removal. Capacitance voltage (C V) measurements were used to monitor the change in the carrier concentration of the base of the device as a function of radiation fluence. These were compared to the defect spectra in the same region obtained by deep level transient spectroscopy, and to the current voltage characteristics of the device, both before and after annealing. We observed the expected deep levels with activation energies of 0.18 and 0.36 eV, but the C endash V results imply that other trap levels must play a more important role in the carrier removal process. copyright 1997 American Institute of Physics

Guanidinium: A Route to Enhanced Carrier Lifetime and Open-Circuit Voltage in Hybrid Perovskite Solar Cells.

Science.gov (United States)

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.

Positron annihilation in solids: positronium diffusion

International Nuclear Information System (INIS)

Paulin, R.

1969-04-01

The existence of two slow components in life-time spectrum of positron annihilation in silicium, aluminium and alkaline-earth oxides powders is established. These two long mean-lives ≅ 10 -9 s and ≅ 10 -7 s result from annihilation, inside and outside the grains respectively, of ortho-positronium formed in defects present in ionic crystals investigated. Dynamic behaviour of Ps, so revealed, is analyzed in terms of diffusion in excellent agreement with experiment. Diffusion constants of the order of 10 -4 cm 2 sec -1 and mean path before annihilation from 50 to 300 Angstrom are measured. From 100 to 500 K the temperature influence upon diffusion process is effective only in SiO 2 where activation energy is found about 10 -2 eV. The p-Ps zero point energy evaluated by angular correlation gives the order of magnitude for defects dimensions and diffusion mean-time. Finally, o-Ps behaviour in space between grains, where its interaction with atmospheric gases can be only detected, is analysed. (author) [fr

Kinetics of interstitial defects in α-Fe: The effect from uniaxial stress

Energy Technology Data Exchange (ETDEWEB)

Kang, Changwoo [Department of Nuclear Engineering, Texas A& M University, College Station, TX 77843 (United States); Wang, Qingyu [College of Nuclear Science and Technology, Harbin Engineering University, Harbin 150001 (China); Shao, Lin, E-mail: lshao@tamu.edu [Department of Nuclear Engineering, Texas A& M University, College Station, TX 77843 (United States)

2017-03-15

Understanding defect kinetics in a stress field is important for multiscale modeling of materials degradation of nuclear materials. By means of molecular dynamics and molecular statics simulations, we calculate formation and migration energies of self-interstitial atoms (SIA) and SIA clusters (up to size of 5 interstitials) in alpha Fe and identify their stable configurations under uniaxial tensile strains. By applying uniaxial stress along [111], <111> oriented single SIA defects become more stable than <110> oriented SIA, which is opposite to stress-free condition. Diffusion of single SIA defects under [111] tensile stress is facilitated along [111] direction and the diffusion becomes one dimensional (1D). For SIA clusters, their diffusion under zero stress has gradual transition from three dimensional (3D) for small clusters to one dimensional (1D) for large clusters. Under the tensile stress along [111], the 3D to 1D transition is accelerated. For large SIA clusters, the stress effect is quickly saturated with less diffusivity enhancement in comparison with small SIA clusters.

Defects induced luminescence and tuning of bandgap energy narrowing in ZnO nanoparticles doped with Li ions

KAUST Repository

Awan, Saif Ullah; Hasanain, S. K.; Hassnain Jaffari, G.; Anjum, Dalaver H.; Qurashi, Umar S.

2014-01-01

Microstructural and optical properties of Zn1-yLiyO (0.00 ≤y ≤0.10) nanoparticles are investigated. Li incorporation leads to substantial changes in the structural characterization. From micro-structural analysis, no secondary phases or clustering of Li was detected. Elemental maps confirmed homogeneous distribution of Li in ZnO. Sharp UV peak due to the recombination of free exciton and defects based luminescence broad visible band was observed. The transition from the conduction band to Zinc vacancy defect level in photoluminescence spectra is found at 518±2.5nm. The yellow luminescence was observed and attributed to Li related defects in doped samples. With increasing Li doping, a decrease in energy bandgap was observed in the range 3.26±0.014 to 3.17±0.018eV. The bandgap narrowing behavior is explained in terms of the band tailing effect due to structural disorder, carrier-impurities, carrier-carrier, and carrier-phonon interactions. Tuning of the bandgap energy in this class of wide bandgap semiconductor is very important for room temperature spintronics applications and optical devices. © 2014 AIP Publishing LLC.

Defects induced luminescence and tuning of bandgap energy narrowing in ZnO nanoparticles doped with Li ions

KAUST Repository

Awan, Saif Ullah

2014-08-28

Microstructural and optical properties of Zn1-yLiyO (0.00 ≤y ≤0.10) nanoparticles are investigated. Li incorporation leads to substantial changes in the structural characterization. From micro-structural analysis, no secondary phases or clustering of Li was detected. Elemental maps confirmed homogeneous distribution of Li in ZnO. Sharp UV peak due to the recombination of free exciton and defects based luminescence broad visible band was observed. The transition from the conduction band to Zinc vacancy defect level in photoluminescence spectra is found at 518±2.5nm. The yellow luminescence was observed and attributed to Li related defects in doped samples. With increasing Li doping, a decrease in energy bandgap was observed in the range 3.26±0.014 to 3.17±0.018eV. The bandgap narrowing behavior is explained in terms of the band tailing effect due to structural disorder, carrier-impurities, carrier-carrier, and carrier-phonon interactions. Tuning of the bandgap energy in this class of wide bandgap semiconductor is very important for room temperature spintronics applications and optical devices. © 2014 AIP Publishing LLC.

Self-diffusion in 69Ga121Sb/71Ga123Sb isotope heterostructures

Science.gov (United States)

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.

Acousto-defect interaction in irradiated and non-irradiated silicon n+-p structures

Science.gov (United States)

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.

Diffusion phenomena in polycrystalline chromium near the upper homological temperature of intercrystalline diffusion manifestation

International Nuclear Information System (INIS)

Kajgorodov, V.N.; Klothman, S.M.; Kurkin, M.I.; Dyakin, V.V.; Zherebthov, D.V.

1997-01-01

A study is made into the temperature dependences of density of states in a zone of intercrystalline diffusion of atomic probes 57 Co in polycrystalline chromium as well as in the temperature dependences of isomer shift and line width in Moessbauer spectra near the upper temperature boundary of manifestation of intercrystalline diffusion. In polycrystalline chromium the release of states in the core of the crystallite conjugation region (CCR) takes place only at high temperatures due to the fact that a stationary zone of high point defect concentration in the vicinity of CCR is conserved up to high temperatures. The atomic probe escape from the core of CCR starts at the temperatures at which the equilibrium vacancy concentration in the bulk of crystallite is equal to that in a stationary zone of high defect concentration

An extended five-stream model for diffusion of ion-implanted dopants in monocrystalline silicon

International Nuclear Information System (INIS)

Khina, B.B.

2007-01-01

Low-energy high-dose ion implantation of different dopants (P, Sb, As, B and others) into monocrystalline silicon with subsequent thermal annealing is used for the formation of ultra-shallow p-n junctions in modern VLSI circuit technology. During annealing, dopant activation and diffusion in silicon takes place. The experimentally observed phenomenon of transient enhanced diffusion (TED), which is typically ascribed to the interaction of diffusing species with non-equilibrium point defects accumulated in silicon due to ion damage, and formation of small clusters and extended defects, hinders further down scaling of p-n junctions in VLSI circuits. TED is currently a subject of extensive experimental and theoretical investigation in many binary and multicomponent systems. However, the state-of-the-art mathematical models of dopant diffusion, which are based on the so-called 'five-stream' approach, and modern TCAD software packages such as SUPREM-4 (by Silvaco Data Systems, Ltd.) that implement these models encounter severe difficulties in describing TED. Solving the intricate problem of TED suppression and development of novel regimes of ion implantation and rapid thermal annealing is impossible without elaboration of new mathematical models and computer simulation of this complex phenomenon. In this work, an extended five-stream model for diffusion in silicon is developed which takes into account all possible charge states of point defects (vacancies and silicon self-interstitials) and diffusing pairs 'dopant atom-vacancy' and 'dopant atom-silicon self-interstitial'. The model includes the drift terms for differently charged point defects and pairs in the internal electric field and the kinetics of interaction between unlike 'species' (generation and annihilation of pairs and annihilation of point defects). Expressions for diffusion coefficients and numerous sink/source terms that appear in the non-linear, non-steady-state reaction-diffusion equations are derived

Radiation defects in SrB4O7:Eu2+ crystals

International Nuclear Information System (INIS)

Yavetskiy, R.P.; Dolzhenkova, E.F.; Tolmachev, A.V.; Parkhomenko, S.V.; Baumer, V.N.; Prosvirnin, A.L.

2007-01-01

Radiation-induced defects in SrB 4 O 7 :Eu 2+ (0.033 at.%) single crystal irradiated with γ and X-ray quanta has been studied. The induced optical absorption in the 400-700 nm region has been ascribed to F + centers. The Eu 2+ ions have been shown to act simultaneously as traps and as radiative recombination centers of charge carriers. Basing on the thermally stimulated luminescence (TSL), optical absorption and photoluminescence studies of SrB 4 O 7 :Eu 2+ crystals, a TSL mechanism has been proposed associated with the decay of F + centers being in non-equivalent crystallographic positions followed by radiative recombination of charge carriers on europium ions. Various positions of localization of the radiation-induced defects in the SrB 4 O 7 crystal structure have been discussed

Recovery of Frenkel defects in fcc metals

International Nuclear Information System (INIS)

Chaplin, R.L.; Miller, M.G.

1976-01-01

Because of the production of Frenkel defects occurs most readily along specific crystallographic directions in fcc structures, the recovery mechanism by which annihilation occurs should also be related to the same crystallographic orientations. The recovery path of a diffusing interstitial requires the formation of a temporary metastable state as a close-pair Frenkel defect prior to annihilation. A theoretical treatment of this scheme for interstitial-vacancy recombination shows that during the Isub(D) diffusion there is an experimentally measurable difference if the recovery forms a Isub(B) or a Isub(C) close-pair configuration in aluminum. Experimental results are given which show a difference from the theoretical predictions, and it is concluded that the assumed analytical function describing the interstitial-vacancy distribution created by a 0.4 MeV electron irradiation should be modified. (author)

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

Energy Technology Data Exchange (ETDEWEB)

Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki; Saeki, Akinori [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Yokoyama, Masaaki [Kaneka Fundamental Technology Research Alliance Laboratories, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Seki, Shu, E-mail: seki@chem.eng.osaka-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Kaneka Fundamental Technology Research Alliance Laboratories, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan)

2014-07-21

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{sup 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.

Diffuse scattering of neutrons and X-rays

International Nuclear Information System (INIS)

Novion, C.H. de

1978-01-01

Diffuse scattering is used to study defect concentrations of about 10 -4 in the case of X-rays and 10 -3 in the case of neutrons. The foundations of diffuse scattering formalism are given, some experimental devices described and a few applications discussed: study by diffraction on powders of defects in CeOsub(2-x); short-range order study by X-rays on Cusub(0.75) Ausub(0.25); short-range order study by neutrons on Cusub(0.435)Nisub(0.565); short-range order study by electrons TiOx; study of irradiation-induced self-interstitials in Al; study of holes created by neutrons in Al [fr

Self-diffusion in MgO--a density functional study.

Science.gov (United States)

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.

Ab-initio modelling of thermodynamics and kinetics of point defects in indium oxide

International Nuclear Information System (INIS)

Agoston, Peter; Klein, Andreas; Albe, Karsten; Erhart, Paul

2008-01-01

The electrical and optical properties of indium oxide films strongly vary with the processing parameters. Especially the oxygen partial pressure and temperature determine properties like electrical conductivity, composition and transparency. Since this material owes its remarkable properties like the intrinsic n-type conductivity to its defect chemistry, it is important to understand both, the equilibrium defect thermodynamics and kinetics of the intrinsic point defects. In this contribution we present a defect model based on DFT total energy calculations using the GGA+U method. Further, the nudged elastic band method is employed in order to obtain a set of migration barriers for each defect species. Due to the complicated crystal structure of indium oxide a Kinetic Monte-Carlo algorithm was implemented, which allows to determine diffusion coefficients. The bulk tracer diffusion constant is predicted as a function of oxygen partial pressure, Fermi level and temperature for the pure material

Radiation-enhanced diffusion in metals and alloys

International Nuclear Information System (INIS)

Lam, N.Q.; Rothman, S.J.

1975-01-01

Some phenomena that involves diffusion during irradiation include fission-product redistribution in reactor fuels, defect clustering in CTR walls or fast-reactor cladding, smearing-out of gradients in ion-implanted semiconductors, and microstructure development in a HVEM. This paper is a review of the basics of radiation-enhanced diffusion (REM). The present status of REM today is somewhat the same as diffusion in the 1940's, and recommendations are made for further work. 105 references

Point defects in dilute nitride III-N-As and III-N-P

International Nuclear Information System (INIS)

Chen, W.M.; Buyanova, I.A.; Tu, C.W.; Yonezu, H.

2006-01-01

We provide a brief review of our recent results from optically detected magnetic resonance studies of grown-in non-radiative defects in two most important dilute nitride systems-Ga(In)NAs grown on GaAs substrates and Ga(Al,In)NP grown on Si and GaP substrates. These results have led to the identification of defect complexes in the alloys, involving intrinsic defects such as As Ga antisites and Ga i self-interstitials. They have also shed light on formation mechanisms of the defects and on their role in non-radiative carrier recombination that is harmful to the performance of potential optoelectronic and photonic devices based on these dilute nitrides

Ultrafast Carrier Relaxation in InN Nanowires Grown by Reactive Vapor Transport

Directory of Open Access Journals (Sweden)

Zervos Matthew

2008-01-01

Full Text Available Abstract We have studied femtosecond carrier dynamics in InN nanowires grown by reactive vapor transport. Transient differential absorption measurements have been employed to investigate the relaxation dynamics of photogenerated carriers near and above the optical absorption edge of InN NWs where an interplay of state filling, photoinduced absorption, and band-gap renormalization have been observed. The interface between states filled by free carriers intrinsic to the InN NWs and empty states has been determined to be at 1.35 eV using CW optical transmission measurements. Transient absorption measurements determined the absorption edge at higher energy due to the additional injected photogenerated carriers following femtosecond pulse excitation. The non-degenerate white light pump-probe measurements revealed that relaxation of the photogenerated carriers occurs on a single picosecond timescale which appears to be carrier density dependent. This fast relaxation is attributed to the capture of the photogenerated carriers by defect/surface related states. Furthermore, intensity dependent measurements revealed fast energy transfer from the hot photogenerated carriers to the lattice with the onset of increased temperature occurring at approximately 2 ps after pulse excitation.

Direct minority carrier transport characterization of InAs/InAsSb superlattice nBn photodetectors

International Nuclear Information System (INIS)

Zuo, Daniel; Liu, Runyu; Wasserman, Daniel; Mabon, James; He, Zhao-Yu; Liu, Shi; Zhang, Yong-Hang; Kadlec, Emil A.; Olson, Benjamin V.; Shaner, Eric A.

2015-01-01

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 −2  cm 2 /s. We also report on the device's optical response characteristics at 78 K

Thermodynamic calculations of self- and hetero-diffusion parameters in germanium

International Nuclear Information System (INIS)

Saltas, V.; Vallianatos, F.

2015-01-01

In the present work, the diffusion coefficients of n- and p-type dopants (P, As, Sb, Al) and self-diffusion in crystalline germanium are calculated from the bulk elastic properties of the host material based on the cBΩ thermodynamic model. The calculated diffusion coefficients as a function of temperature and the activation enthalpies prove to be in full agreement with the reported experimental results. Additional point defect parameters such as activation entropy, activation volume and activation Gibbs free energy are also calculated for each diffusing element. The pressure dependence of self-diffusion coefficients in germanium is also verified at high temperatures (876 K–1086 K), in agreement with reported results ranging from ambient pressure up to 600 MPa and is further calculated at pressures up to 3 GPa, where the phase transition to Ge II occurs. - Highlights: • Calculation of diffusivities of n- and p-type dopants in Ge from elastic properties. • Calculation of point defect parameters according to the cBΩ thermodynamic model. • Prediction of the pressure dependence of self-diffusion coefficients in Ge

Analysis of the photo voltage decay /PVD/ method for measuring minority carrier lifetimes in P-N junction solar cells

Science.gov (United States)

Von Roos, O.

1981-01-01

The photo voltage decay (PVD) method for the measurement of minority carrier lifetimes in P-N junction solar cells with cell thickness comparable to or even less than the minority carrier diffusion length is examined. The method involves the generation of free carriers in the quasi-neutral bulk material by flashes of light and the monitoring of the subsequent decay of the induced open-circuit voltages as the carriers recombine, which is dependent on minority carrier recombination lifetime. It is shown that the voltage versus time curve for an ordinary solar cell (N(+)-P junction) is proportional to the inverse minority carrier lifetime plus a factor expressing the ratio of diffusion length to cell thickness. In the case of an ideal back-surface-field cell (N(+)-P-P(+) junction) however, the slope is directly proportional to the inverse minority carrier lifetime. It is noted that since most BSF cells are not ideal, possessing a sizable back surface recombination velocity, the PVD measurements must be treated with caution and supplemented with other nonstationary methods.

Stochastic annealing simulations of defect interactions among subcascades

Energy Technology Data Exchange (ETDEWEB)

Heinisch, H.L. [Pacific Northwest National Lab., Richland, WA (United States); Singh, B.N.

1997-04-01

The effects of the subcascade structure of high energy cascades on the temperature dependencies of annihilation, clustering and free defect production are investigated. The subcascade structure is simulated by closely spaced groups of lower energy MD cascades. The simulation results illustrate the strong influence of the defect configuration existing in the primary damage state on subsequent intracascade evolution. Other significant factors affecting the evolution of the defect distribution are the large differences in mobility and stability of vacancy and interstitial defects and the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. Annealing simulations are also performed on high-energy, subcascade-producing cascades generated with the binary collision approximation and calibrated to MD results.

Diffusion and transport coefficients in synthetic opals

International Nuclear Information System (INIS)

Sofo, J. O.; Mahan, G. D.

2000-01-01

Opals are structures composed of close-packed spheres in the size range of nano to micrometers. They are sintered to create small necks at the points of contact. We have solved the diffusion problem in such structures. The relation between the diffusion coefficient and the thermal and electrical conductivity is used to estimate the transport coefficients of opal structures as a function of the neck size and the mean free path of the carriers. The theory presented is also applicable to the diffusion problem in other periodic structures. (c) 2000 The American Physical Society

Rapid diffusion of molybdenum trace contamination in silicon

International Nuclear Information System (INIS)

Tobin, S.P.; Greenwald, A.C.; Wolfson, R.G.; Meier, D.L.; Drevinsky, P.J.

1985-01-01

Molybdenum contamination has been detected in silicon epitaxial layers and substrate wafers after processing in any one of several epitaxial silicon reactors. Greatly reduced minority carrier diffusion lengths and lifetimes are consistent with Mo concentrations measured by DLTS in the 10 12 and 10 13 cm -3 ranges. Depth profiling of diffusion length and the Mo deep level show much greater penetration than expected from previous reports of Mo as a slow diffuser. The data indicate a lower limit of 10 -8 cm 2 /sec for the diffusion coefficient of Mo in silicon at 1200 0 C, consistent with high diffusivities measured for other transition metals

Diffusion in Coulomb crystals.

Science.gov (United States)

Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

2011-07-01

Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

PAT challenges routine techniques on defect spectroscopy in material science

International Nuclear Information System (INIS)

Badawi, E.A.

2005-01-01

Atomic or Point Defects are the most simple defects in solids. Due to the small size their direct observation by the routine techniques is not possible. A single type of defects (thermal defect) was observed in the quenching process. Using the Arrhenius method and threshold method we recommended the accurate both method of treatments. The calculated values for formation enthalpies and self-diffusion using positron lifetime and Doppler broadening in a good agreement in (A356.0) and (A413.1). Specifically it is show how PAT detect defect concentrations, (formation- migration) enthalpies and grain size for the material under investigation. Most of the these data are reported

Mechanisms of component diffusion in mercury cadmium telluride

International Nuclear Information System (INIS)

Tang, M.S.; Stevenson, D.A.

1989-01-01

The component diffusion coefficients for the Hg/sub 0.8/Cd/sub 0.2/Te (MCT) system are measured using radioactive tracers. Multiple branches are observed in the tracer diffusion profiles which are related to fast and slow-diffusing components. Diffusion models for each component are proposed based on the defect chemistry of MCT, a calculation of the thermodynamic factor, and the relationship between component diffusion coefficients and the interdiffusion coefficients for pseudobinary systems. The model provides insight into the thermodynamic properties of the system, the mechanisms for diffusion, and the practical application of tracer diffusion data to interdiffusion and p-to-n conversion by Hg annealing

Defects in ZnO nanorods prepared by a hydrothermal method.

Science.gov (United States)

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.

A study of the diffusion mechanisms in amorphous metallic alloys: diffusion and diffusion under high pressure in an amorphous NiZr alloy

International Nuclear Information System (INIS)

Grandjean, A.

1996-01-01

The aim of this work is a better understanding of the diffusion mechanism in amorphous metallic alloys. Then interdiffusion and hafnium diffusion in amorphous NiZr alloy have been studied. Samples used are made by sputtering co-deposition under vacuum and are well relaxed before the diffusion measurements. The time evolution of resistivity during annealing due to the decay of a composition modulated film has been measured and from this change in resistivity interdiffusion coefficients have been determined. Dependence of Hf diffusion on temperature and pressure has been studied using (SIMS). In this two cases, the diffusion process obeys an Arrhenius law and gives an activation energy of 1.33 eV for interdiffusion, and 0.76 eV for Hf diffusion. An effect of pressure on Hf diffusion has been found leading to an activation volume of 8.5 angstrom 3 . Thanks to these results, two approaches of the diffusion mechanisms in these systems have been proposed. The first comes from a comparison with the diffusion mechanisms in crystalline metals, that is to say by point defects. The second is an hypothesis of collective motions in these non crystalline alloys. (author)

X-ray analysis of temperature induced defect structures in boron implanted silicon

Science.gov (United States)

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 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.

Enhanced defects recombination in ion irradiated SiC

International Nuclear Information System (INIS)

Izzo, G.; Litrico, G.; Grassia, F.; Calcagno, L.; Foti, G.

2010-01-01

Point defects induced in SiC by ion irradiation show a recombination at temperatures as low as 320 K and this process is enhanced after running current density ranging from 80 to 120 A/cm 2 . Ion irradiation induces in SiC the formation of different defect levels and low-temperature annealing changes their concentration. Some levels (S 0 , S x and S 2 ) show a recombination and simultaneously a new level (S 1 ) is formed. An enhanced recombination of defects is besides observed after running current in the diode at room temperature. The carriers introduction reduces the S 2 trap concentration, while the remaining levels are not modified. The recombination is negligible up to a current density of 50 A/cm 2 and increases at higher current density. The enhanced recombination of the S 2 trap occurs at 300 K, which otherwise requires a 400 K annealing temperature. The process can be related to the electron-hole recombination at the associated defect.

Characterization of point defects in monolayer arsenene

Science.gov (United States)

Liang, Xiongyi; Ng, Siu-Pang; Ding, Ning; Wu, Chi-Man Lawrence

2018-06-01

Topological defects that are inevitably found in 2D materials can dramatically affect their properties. Using density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) method, the structural, thermodynamic, electronic and magnetic properties of six types of typical point defects in arsenene, i.e. the Stone-Wales defect, single and double vacancies and adatoms, were systemically studied. It was found that these defects were all more easily generated in arsenene with lower formation energies than those with graphene and silicene. Stone-Wales defects can be transformed from pristine arsenene by overcoming a barrier of 2.19 eV and single vacancy defects tend to coalesce into double vacancy defects by diffusion. However, a type of adatom defect does not exhibit kinetic stability at room temperature. In addition, SV defects and another type of adatom defect can remarkably affect the electronic and magnetic properties of arsenene, e.g. they can introduce localized states near the Fermi level, as well as a strongly local magnetic moment due to dangling bond and unpaired electron. Furthermore, the simulated scanning tunneling microscopy (STM) and Raman spectroscopy were computed and the types of point defects can be fully characterized by correlating the STM images and Raman spectra to the defective atomistic structures. The results provide significant insights to the effect of defects in arsenene for potential applications, as well as identifications of two helpful tools (STM and Raman spectroscopy) to distinguish the type of defects in arsenene for future experiments.

Variation in the defect structure of p-CdTe single crystals at the passage of the laser shock wave

International Nuclear Information System (INIS)

Baidullaeva, A.; Vlasenko, A.I.; Gorkovenko, B.L.; Lomovtsev, A.V.; Mozol', P.E.

2000-01-01

Variations in the minority-carrier lifetime, photoluminescence spectra, dark current and photocurrent temperature dependences of high-resistivity p-CdTe crystals under the action of the laser shock wave are investigated. It is shown that the variations in the aforementioned characteristics during the passage of the shock wave are defined by the generation of the nonequilibrium carriers from deep centers, and, after that, the variations are defined by the formation of intrinsic defects and their subsequent interaction with the defects existing in the initial crystals

Role of defects in the carrier-tunable topological-insulator (Bi1 -xSbx )2Te3 thin films

Science.gov (United States)

Scipioni, Kane L.; Wang, Zhenyu; Maximenko, Yulia; Katmis, Ferhat; Steiner, Charlie; Madhavan, Vidya

2018-03-01

Alloys of Bi2Te3 and Sb2Te3[(Bi1-xSbx) 2Te3] have played an essential role in the exploration of topological surface states, allowing us to study phenomena that would otherwise be obscured by bulk contributions to conductivity. Despite intensive transport and angle resolved photoemission (ARPES) studies, important questions about this system remain unanswered. For example, previous studies reported the chemical tuning of the Fermi level to the Dirac point by controlling the Sb:Bi composition ratio, but the optimum ratio varies widely across various studies. Moreover, it is unclear how the quasiparticle lifetime is affected by the disorder resulting from Sb/Bi alloying. In this work, we use scanning tunneling microscopy and spectroscopy to study the electronic structure of epitaxially grown (Bi,Sb) 2Te3 thin films at the nanoscale. We study Landau levels (LLs) to determine the effect of disorder on the quasiparticle lifetime as well as the position of the Dirac point with respect to the Fermi energy. A plot of the LL peak widths shows that despite the intrinsic disorder, the quasiparticle lifetime is not significantly degraded. We further determine that the ideal Sb concentration to place the Fermi energy to within a few meV of the Dirac point is x ˜0.7 , but that postannealing temperatures can have a significant effect on the crystallinity and Fermi level position. Specifically, high postgrowth annealing temperature can result in better crystallinity and surface roughness, but also produces a larger Te defect density which adds n -type carriers. Finally, in combination with quasiparticle interference imaging, the dispersion is revealed over a large energy range above the Fermi energy, in a regime inaccessible to ARPES. Interestingly, the surface state dispersion for the x ˜0.7 sample shows great similarity to pristine Bi2Te3 . This work provides microscopic information on the role of disorder and composition in determining carrier concentration, surface state

Stability and kinetics of point defects in SiO2 and in SiC

International Nuclear Information System (INIS)

Roma, G.

2012-01-01

This document is conceived as an overview of Guido Roma's research achievements on defects stability and kinetics in two materials of interest in nuclear science and for many other application domains: silicon dioxide and silicon carbide. An extended summary in french is followed by the main document, in english. Chapter 1 describes the context, introduces the approach and explains the choice of silicon dioxide and silicon carbide. Chapter 2 discusses several approximations and specific issues of the application of Density Functional Theory to point defects in non-metallic materials for the study of defects energetics and diffusion. Chapter 3 is devoted to native defects in silicon dioxide and the understanding of self-diffusion in crystalline and amorphous SiO 2 . Chapter 4 summarises the results on native defects and palladium impurities in silicon carbide. A conclusion, including suggestions for future developments, closes the main part of the document. (author) [fr

Graphene materials having randomly distributed two-dimensional structural defects

Science.gov (United States)

Kung, Harold H; Zhao, Xin; Hayner, Cary M; Kung, Mayfair C

2013-10-08

Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

A Study of Defect Behavior in Almandine Garnet

Science.gov (United States)

Geiger, C. A.; Brearley, A. J.; Dachs, E.; Tipplet, G.; Rossman, G. R.

2016-12-01

Transport and diffusion in crystals are controlled by defects. However, a good understanding of the defect types in many silicates, including garnet, is not at hand. We undertook a study on synthetic almandine, ideal end-member Fe3Al2Si3O12, to better understand its precise chemical and physical properties and defect behavior. Crystals were synthesized at high pressures and temperatures under different fO2 conditions using various starting materials with H2O and without. The almandine obtained came in polycrystalline and single-crystal form. The synthetic reaction products and crystals were carefully characterized using X-ray powder diffraction, electron microprobe and TEM analysis and with 57Fe Mössbauer, UV/VIS single-crystal absorption and IR single-crystal spectroscopy. Various possible intrinsic defects, such as the Frenkel, Schottky and site-disorder types, along with Fe3+, in both synthetic and natural almandine crystals, were analyzed based on model defects expressed in Kröger-Vink notation. Certain types of minor microscopic- to macroscopic-sized precipitation or exsolution phases, including some that are nanosized, that are observed in synthetic almandine (e.g., magnetite), as well as in more compositionally complex natural crystals (e.g., magnetite, rutile, ilmenite), may result from defect reactions. An explanation for their origin through minor amounts of defects in garnet has certain advantages over other models that have been put forth in the literature that assume strict garnet stoichiometry for their formation and/or open-system atomic transport over relatively long length scales. Physical properties, including magnetic, electrical conductivity and diffusion behavior, as well as the color, of almandine are also analyzed in terms of various possible model defects. It is difficult, if not impossible, to synthesize stoichiometric end-member almandine, Fe3Al2Si3O12, in the laboratory, as small amounts of extrinsic OH- and/or Fe3+ defects, for example

Diffusion processes in nuclear waste glasses

International Nuclear Information System (INIS)

Serruys, Y.; Limoge, Y.; Brebec, G.

1992-01-01

Problems concerning the containment of nuclear wastes are presented. Different materials which have been considered for this purpose are briefly reviewed and we see why glass is one of the favorite candidates. It is focussed on what is known about diffusion in 'simple enough' glasses. After a recall concerning the structure and possible defects, the main results on diffusion in 'simple' glasses are given and it is shown what these results involve for the mechanisms of diffusion. The diffusion models are presented which can account for transport in random media: percolation and random walk models. Specific phenomena for the nuclear waste glasses are considered: the effect of irradiation on diffusion and leaching (i.e. corrosion by water). Finally diffusion data in nuclear waste glasses are presented. (author). 199 refs., 6 figs., 1 tab

Direct femtosecond observation of charge carrier recombination in ternary semiconductor nanocrystals: The effect of composition and shelling

KAUST Repository

Bose, Riya

2015-02-12

Heavy-metal free ternary semiconductor nanocrystals are emerging as key materials in photoactive applications. However, the relative abundance of intra-bandgap defect states and lack of understanding of their origins within this class of nanocrystals are major factors limiting their applicability. To remove these undesirable defect states which considerably shorten the lifetimes of photogenerated excited carriers, a detailed understanding about their origin and nature is required. In this report, we monitor the ultrafast charge carrier dynamics of CuInS2 (CIS), CuInSSe (CISSe), and CuInSe2 (CISe) nanocrystals, before and after ZnS shelling, using state-of-the-art time-resolved laser spectroscopy with broadband capabilities. The experimental results demonstrate the presence of both electron and hole trapping intra-bandgap states in the nanocrystals which can be removed significantly by ZnS shelling, and the carrier dynamics is slowed down. Another important observation remains the reduction of carrier lifetime in the presence of Se, and the shelling strategy is observed to be less effective at suppressing trap states. This study provides quantitative physical insights into the role of anion composition and shelling on the charge carrier dynamics in ternary CIS, CISSe, and CISe nanocrystals which are essential to improve their applicability for photovoltaics and optoelectronics.

Absorption and atom mobility in electric field: point defect role in glasses

International Nuclear Information System (INIS)

Serruys, Y.; Vigouroux, J.P.

1986-10-01

During the surface analysis of dielectric materials, the impinging ionising particles induce point defects localised in the band gap and build an electrical charge. The electric field created by the charged defects modifies the physico-chemical properties of surface and bulk. We show that the fundamental study of defects allows a better understanding of technological phenomena such as dielectric breakdown, fracture and diffusion [fr

Molecular dynamics simulation of helium and oxygen diffusion in UO2±x

International Nuclear Information System (INIS)

Govers, K.; Lemehov, S.; Hou, M.; Verwerft, M.

2009-01-01

Atomic scale simulation techniques based on empirical potentials have been considered in the present work to get insight on helium diffusion in uranium dioxide. By varying the stoichiometry, together with the system temperature, the performed molecular dynamics simulations indicate two diffusion regimes for He. The first one presents a low activation energy (0.5 eV) and suggests oxygen vacancies assisted migration. This regime seems to provide the major contribution to diffusion when structural defects are present (extrinsic defects, imposed, e.g. by the stoichiometry). The second regime presents a higher activation energy, around 2 eV, and dominates in the higher temperature range or at perfect stoichiometry, suggesting an intrinsic migration process. Considering the dependence of He behaviour with oxygen defects, oxygen diffusion has been considered as well in the different stoichiometry domains. Finally, further investigations were made with nudged elastic bands calculations for a better interpretation of the operating migration mechanisms, both for He and O.

Analysis of a multicomponent gas absorption system with carrier gas coabsorption

International Nuclear Information System (INIS)

Merriman, J.R.

1975-03-01

Conventional integrated versions of the packed gas absorber design equations do not account for significant coabsorption of the carrier gas along with the dilute transferring species. These equations, as a result, also neglect the relationship between dilute component transfer and carrier gas coabsorption. In the absorption of Kr and Xe from various carrier gases, using CCl 2 F 2 as the process solvent, carrier coabsorption is substantial. Consequently, a design package was developed to deal with multicomponent gas absorption in systems characterized by carrier gas coabsorption. Developed within the general film theory framework, the basic feature of this design approach is a view of dilute component mass-transfer as a conventional diffusive transfer superimposed on a net flux caused by carrier absorption. Other supporting elements of the design package include predictive techniques for various fluid properties, estimating procedures for carrier gas equilibrium constants, and correlations for carrier gas and dilute gas mass-transfer coefficients. When applied to systems using CCl 2 F 2 as the solvent; He, N 2 , air, or Ar as the carrier gas; and Kr or Xe as the dilute gas; the design approach gave good results, even when extended to conditions well beyond those of its development. (U.S.)

Carrier transport in amorphous silicon utilizing picosecond photoconductivity

Science.gov (United States)

Johnson, A. M.

1981-08-01

The development of a high-speed electronic measurement capability permitted the direct observation of the transient photoresponse of amorphous silicon (a-Si) with a time resolution of approximately 10ps. This technique was used to measure the initial mobility of photogenerated (2.1eV) free carriers in three types of a-Si having widely different densities of structural defects (i.e., as prepared by: (1) RF glow discharge (a-Si:H); (2) chemical vapor deposition; and (3) evaporation in ultra-high vacuum). In all three types of a-Si, the same initial mobility of approximately 1 cu cm/Vs at room temperature was found. This result tends to confirm the often-made suggestion that the free carrier mobility is determined by the influence of shallow states associated with the disorder in the random atomic network, and is an intrinsic property of a-Si which is unaffected by the method of preparation. The rate of decay of the photocurrent correlates with the density of structural defects and varies from 4ps to 200ps for the three types of a-Si investigated. The initial mobility of a-Si:H was found to be thermally activated. The possible application of extended state transport controlled by multiple trapping and small polaron formation is discussed.

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

Science.gov (United States)

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.

Huang diffuse scattering of neutrons

International Nuclear Information System (INIS)

Burkel, E.; Guerard, B. v.; Metzger, H.; Peisl, J.

1979-01-01

Huang diffuse neutron scattering was measured for the first time on niobium with interstitially dissolved deuterium as well as on MgO after neutron irradiation and Li 7 F after γ-irradiation. With Huang diffuse scattering the strength and symmetry of the distortion field around lattice defects can be determined. Our results clearly demonstrate that this method is feasible with neutrons. The present results are compared with X-ray experiments and the advantages of using neutrons is discussed in some detail. (orig.)

Influence of damages caused by surface defects upon the oxydation mechanism of inconel 600

International Nuclear Information System (INIS)

Rousselet, J.M.; Moulin, G.; Huntz, A.M.

1985-01-01

The influence of thermochemical and mechanical treatments on the oxidation mechanism of Ni 76 Cr 16 Fe 8 alloys (Inconel 600) was studied from a kinetic and analytical point of view, in order to clarify the role of defects either due to a prestrain or related to impurities such as S, C. for example to overcome sulfur pollution of steam generator tubes of nuclear power plant. For unstrained alloys, the oxidation process is controlled by the diffusion of alloy elements in the metallic substrate. But, beyond a critical strain value, the diffusion rate in the alloy is sufficiently accelerated by the strain induced defects to involve an oxidation control by the diffusion of base-elements (Cr, Ni, Fe) in the oxide scale. Sulfides present in the alloy (due to a pre-sulphidation treatment) strongly accelerate the oxidation kinetics owing to the fact that a first oxidation step, controlled by a chemical process of sulphide decomposition, takes place simultaneously to an internal oxidation; then, a second step related to sulphur diffusion through the oxide scale appears; sulphur in the oxide scale creates defects which accelerate cationic diffusion in the oxides. The baneful influence of sulphur can be balanced by prestraining the material [fr

Point defects and electric compensation in gallium arsenide single crystals; Punktdefekte und elektrische Kompensation in Galliumarsenid-Einkristallen

Energy Technology Data Exchange (ETDEWEB)

Kretzer, Ulrich

2007-12-10

In the present thesis the point-defect budget of gallium arsenide single crystals with different dopings is studied. It is shown, in which way the concentration of the single point defects depende on the concentration of the dopants, the stoichiometry deviation, and the position of the Fermi level. For this serve the results of the measurement-technical characterization of a large number of samples, in the fabrication of which these parameters were directedly varied. The main topic of this thesis lies in the development of models, which allow a quantitative description of the experimentally studied electrical and optical properties of gallium arsenide single crystals starting from the point-defect concentrations. Because from point defects charge carriers can be set free, their concentration determines essentially the charge-carrier concentration in the bands. In the ionized state point defects act as scattering centers for free charge carriers and influence by this the drift mobility of the charge carriers. A thermodynamic modeling of the point-defect formation yields statements on the equilibrium concentrations of the point defects in dependence on dopant concentration and stoichiometry deviation. It is show that the electrical properties of the crystals observed at room temperature result from the kinetic suppression of processes, via which the adjustment of a thermodynamic equilibrium between the point defects is mediated. [German] In der vorliegenden Arbeit wird der Punktdefekthaushalt von Galliumarsenid-Einkristallen mit unterschiedlichen Dotierungen untersucht. Es wird gezeigt, in welcher Weise die Konzentration der einzelnen Punktdefekte von der Konzentration der Dotierstoffe, der Stoechiometrieabweichung und der Lage des Ferminiveaus abhaengen. Dazu dienen die Ergebnisse der messtechnischen Charakterisierung einer grossen Anzahl von Proben, bei deren Herstellung diese Parameter gezielt variiert wurden. Der Schwerpunkt der Arbeit liegt in der Entwicklung

Lattice location of diffused Zn atoms in GaAs and InP single crystals

International Nuclear Information System (INIS)

Chan, L.Y.; Yu, K.M.; Ben-Tzur, M.; Haller, E.E.; Jaklevic, J.M.; Walukiewicz, W.; Hanson, C.M.

1991-01-01

We have investigated the saturation phenomenon of the free carrier concentration in p-type GaAs and InP single crystals doped by zinc diffusion. The free hole saturation occurs at 10 20 cm -3 for GaAs, but the maximum concentration for InP appears at mid 10 18 cm -3 . The difference in the saturation hole concentrations for these materials is investigated by studying the incorporation and the lattice location of the impurity zinc, an acceptor when located on a group III atom site. Zinc is diffused into the III-V wafers in a sealed quartz ampoule. Particle-induced x-ray emission with ion-channeling techniques are employed to determine the exact lattice location of the zinc atoms. We have found that over 90% of all zinc atoms occupy Ga sites in the diffused GaAs samples, while for the InP case, the zinc substitutionality is dependent on the cooling rate of the sample after high-temperature diffusion. For the slowly cooled sample, a large fraction (∼90%) of the zinc atoms form random precipitates of Zn 3 P 2 and elemental Zn. However, when rapidly cooled only 60% of the zinc forms such precipitates while the rest occupies specific sites in the InP. We analyze our results in terms of the amphoteric native defect model. We show that the difference in the electrical activity of the Zn atoms in GaAs and InP is a consequence of the different location of the Fermi level stabilization energy in these two materials

Structural defects in monocrystalline silicon: from radiation ones to growing and technological

International Nuclear Information System (INIS)

Gerasimenko, N.N.; Pavlyuchenko, M.N.; Dzhamanbalin, K.K.

2001-01-01

The systematical review of properties and conditions of radiation structures in monocrystalline silicon including own defects (elementary and complex, disordered fields) as well as defect-impurity formations is presented. The most typical examples of principle effects influence of known defects on radiation-induced processes (phase transformations, diffusion and heteration and others are considered. Experimental facts and models of silicon radiation amorphization have been analyzed in comparison of state of the radiation amorphization radiation problem of metals and alloys. The up-to-date status of the problem of the radiation defects physics are discussed, including end-of-range -, n+-, rod-like- defects. The phenomenon self-organization in crystals with defects has been considered. The examples of directed using radiation defects merged in independent trend - defects engineering - are given

Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores

International Nuclear Information System (INIS)

Perriot, Romain; Dholabhai, Pratik P.; Uberuaga, Blas P.

2017-01-01

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, 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.

Phosphorus-defect interactions during thermal annealing of ion implanted silicon

Science.gov (United States)

Keys, Patrick Henry

Ion implantation of dopant atoms into silicon generates nonequilibrium levels of crystal defects that can lead to the detrimental effects of transient enhanced diffusion (TED), incomplete dopant activation, and p-n junction leakage. In order to control these effects, it is vital to have a clear understanding of dopant-defect interactions and develop models that account for these interactions. This research focuses on experimentally investigating and modeling the clustering of phosphorus dopant atoms with silicon interstitials. Damage recovery of 40keV Si+ implants in phosphorus doped wells is experimentally analyzed. The effects of background phosphorus concentration, self implant dose, and anneal temperature are investigated. Phosphorus concentrations ranging from 2.0 x 1017 to 4.0 x 1019 cm-3 and Si+ doses ranging from 5.0 x 1013 cm-2 to 2.0 x 1014 cm-2 are studied during 650-800°C anneals. A dramatic reduction in the number of interstitials bound in {311} defects with increasing phosphorus background concentration is observed. It is suggested that the reduction of interstitials in {311} defects at high phosphorus concentrations is due to the formation of phosphorus-interstitial clusters (PICs). The critical concentration for clustering (approximately 1.0 x 1019 cm-3 at 750°C) is strongly temperature dependent and in close agreement with the kink concentration of phosphorus diffusion. Information gained from these "well experiments" is applied to the study of direct phosphorus implantation. An experimental study is conducted on 40keV phosphorus implanted to a dose of 1.0 x 1014 cm-2 during 650-800°C anneals. Electrically inactive PICs are shown to form at concentrations below the solid solubility limit due to high interstitial supersaturations. Data useful for developing a model to accurately predict phosphorus diffusion under nonequilibrium conditions are extracted from the experimental results. A cluster-mediated diffusion model is developed using the

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

Science.gov (United States)

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

2011-08-25

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

Directory of Open Access Journals (Sweden)

Carnielli Virgilio P

2011-08-01

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.

First-principles study of hydrogen-enhanced phosphorus diffusion in silicon

International Nuclear Information System (INIS)

The Anh, Le; Lam, Pham Tien; Manoharan, Muruganathan; Matsumura, Hideki; Otsuka, Nobuo; Hieu Chi, Dam; Tien Cuong, Nguyen; Mizuta, Hiroshi

2016-01-01

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 with 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

A study of the diffusion mechanisms in amorphous metallic alloys: diffusion and diffusion under high pressure in an amorphous NiZr alloy; Contribution a l`etude des mecanismes de transport dans les materiaux metalliques amorphes: diffusion et diffusion sous pression dans NiZr amorphe

Energy Technology Data Exchange (ETDEWEB)

Grandjean, A.

1996-03-01

The aim of this work is a better understanding of the diffusion mechanism in amorphous metallic alloys. Then interdiffusion and hafnium diffusion in amorphous NiZr alloy have been studied. Samples used are made by sputtering co-deposition under vacuum and are well relaxed before the diffusion measurements. The time evolution of resistivity during annealing due to the decay of a composition modulated film has been measured and from this change in resistivity interdiffusion coefficients have been determined. Dependence of Hf diffusion on temperature and pressure has been studied using (SIMS). In this two cases, the diffusion process obeys an Arrhenius law and gives an activation energy of 1.33 eV for interdiffusion, and 0.76 eV for Hf diffusion. An effect of pressure on Hf diffusion has been found leading to an activation volume of 8.5 angstrom{sup 3}. Thanks to these results, two approaches of the diffusion mechanisms in these systems have been proposed. The first comes from a comparison with the diffusion mechanisms in crystalline metals, that is to say by point defects. The second is an hypothesis of collective motions in these non crystalline alloys. (author).

Three-dimensional minority carrier lifetime mapping of thin film semiconductors for solar cell applications

Energy Technology Data Exchange (ETDEWEB)

Hardin, Brian [PLANT PV, Inc., Belmont, CA (United States); Peters, Craig [PLANT PV, Inc., Belmont, CA (United States); Barnard, Edward [PLANT PV, Inc., Belmont, CA (United States)

2015-09-30

This project addresses the difficulty of accurately measuring charge carrier dynamics in novel semiconductor materials for thin film photovoltaic cells. We have developed a two- photon lifetime tomography technique to separate bulk minority carrier lifetime from surface recombination effects and effects of recombination at sub-surface defects. This technique also enables us to characterize how local defects such as grain boundaries– buried below the surface of a sample–affect carrier lifetimes in the active layer, dynamics that have been previously inaccessible. We have applied this newly developed technique to illuminate how CdCl₂ treatment improves CdTe PV efficiency. From striking 3D lifetime tomography maps, a clear, sub- surface understanding emerges of the photophysical changes that occur in CdTe active medium following exposure to CdCl₂, a standard step in the fabrication of high-efficiency CdTe-based solar cells. This work demonstrates a well-defined method to quantify grain-boundary, interface, and bulk recombination in CdTe and other optically-active polycrystalline semiconductor materials; information that can provide critical information to the development of next- generation photovoltaics and many other semiconductor technologies.

Molecular dynamics simulation of helium and oxygen diffusion in UO{sub 2+}-{sub x}

Energy Technology Data Exchange (ETDEWEB)

Govers, K., E-mail: kgovers@sckcen.b [Service de Metrologie Nucleaire (CP 165/84), Universite Libre de Bruxelles, 50 av. F.D. Roosevelt, B-1050 Bruxelles (Belgium); Institute for Nuclear Materials Sciences, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium); Lemehov, S. [Institute for Nuclear Materials Sciences, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium); Hou, M. [Physique des Solides Irradies et des Nanostructures (CP 234), Universite Libre de Bruxelles, Bd du Triomphe, B-1050 Bruxelles (Belgium); Verwerft, M. [Institute for Nuclear Materials Sciences, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium)

2009-12-15

Atomic scale simulation techniques based on empirical potentials have been considered in the present work to get insight on helium diffusion in uranium dioxide. By varying the stoichiometry, together with the system temperature, the performed molecular dynamics simulations indicate two diffusion regimes for He. The first one presents a low activation energy (0.5 eV) and suggests oxygen vacancies assisted migration. This regime seems to provide the major contribution to diffusion when structural defects are present (extrinsic defects, imposed, e.g. by the stoichiometry). The second regime presents a higher activation energy, around 2 eV, and dominates in the higher temperature range or at perfect stoichiometry, suggesting an intrinsic migration process. Considering the dependence of He behaviour with oxygen defects, oxygen diffusion has been considered as well in the different stoichiometry domains. Finally, further investigations were made with nudged elastic bands calculations for a better interpretation of the operating migration mechanisms, both for He and O.

Solutions to defect-related problems in implanted silicon by controlled injection of vacancies by high-energy ion irradiation

International Nuclear Information System (INIS)

Roth, E.G.; Holland, O.W.; Duggan, J.L.

1999-01-01

Amorphization and a dual implant technique have been used to manipulate residual defects that persist following implantation and post-implant thermal treatments. Residual defects can often be attributed to ion-induced defect excesses. A defect is considered to be excess when it occurs in a localized region at a concentration greater than its complement. Sources of excess defects include spatially separated Frenkel pairs, excess interstitials resulting from the implanted atoms, and sputtering. Preamorphizing prior to dopant implantation has been proposed to eliminate dopant broadening due to ion channeling as well as dopant diffusion during subsequent annealing. However, transient-enhanced diffusion (TED) of implanted boron has been observed in pre-amorphized Si. The defects driving this enhanced boron diffusion are thought to be the extended interstitial-type defects that form below the amorphous-crystalline interface during implantation. A dual implantation process was applied in an attempt to reduce or eliminate this interfacial defect band. High-energy, ion implantation is known to inject a vacancy excess in this region. Vacancies were implanted at a concentration coincident with the excess interstitials below the a-c interface to promote recombination between the two defect species. Preliminary results indicate that a critical fluence, i.e., a sufficient vacancy concentration, will eliminate the interstitial defects. The effect of the reduction or elimination of these interfacial defects upon TED of boron will be discussed. Rutherford backscattering/channeling and cross section transmission electron microscopy analyses were used to characterize the defect structure within the implanted layer. Secondary ion mass spectrometry was used to profile the dopant distributions. copyright 1999 American Institute of Physics

Time scales of transient enhanced diffusion: Free and clustered interstitials

Science.gov (United States)

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.

Electrical Conductivity of Rocks and Dominant Charge Carriers. Part 1; Thermally Activated Positive Holes

Science.gov (United States)

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.

Determination of ion diffusion coefficients by the electromigration method

International Nuclear Information System (INIS)

Bonchev, G.D.; Milanov, M.V.; Bozhikov, G.A.; Ivanov, P.I.; Priemyshev, A.N.; Maslov, O.D.; Dmitriev, S.N.

2003-01-01

An electrophoretic method for measuring ion diffusion coefficients in aqueous solutions is developed. The value of the diffusion coefficient can be determined from the linear relationship between the square standard deviation of the electrophoretic zone and the time from the start of the diffusion process. Using the device for horizontal zone electrophoresis in a free electrolyte, a series of diffusion experiments are performed with no-carrier-added radionuclides in microconcentrations (10 -9 - 10 -10 M). Diffusion coefficients of 111 In(III), 175 Hf(IV) and 237 Pu(VI) ions at 25 0 C are determined in nitric acid media. Simultaneous determination of the diffusion coefficient and electrophoretic mobility allows one to calculate the effective charge of the investigated ions in accordance with the Nernst-Einstein law

Solution-diffusion with defects model for pressure-assisted forward osmosis

KAUST Repository

Duan, Jintang; Litwiller, Eric; Pinnau, Ingo

2014-01-01

for PA-TFC membranes, but had negligible effect on CTA membrane flux. These large flux variations can be explained by the SDWD model, but not the SD model. To confirm the existence of defects, a PA-TFC membrane was coated with a uniform, highly water

Dental enamel defects, caries experience and oral health-related quality of life: a cohort study.

Science.gov (United States)

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.

Anion and cation diffusion in barium titanate and strontium titanate

International Nuclear Information System (INIS)

Kessel, Markus Franz

2012-01-01

Perovskite oxides show various interesting properties providing several technical applications. In many cases the defect chemistry is the key to understand and influence the material's properties. In this work the defect chemistry of barium titanate and strontium titanate is analysed by anion and cation diffusion experiments and subsequent time-of-flight secondary ion mass spectrometry (ToF-SIMS). The reoxidation equation for barium titanate used in multi-layer ceramic capacitors (MLCCs) is found out by a combination of different isotope exchange experiments and the analysis of the resulting tracer diffusion profiles. It is shown that the incorporation of oxygen from water vapour is faster by orders of magnitude than from molecular oxygen. Chemical analysis shows the samples contain various dopants leading to a complex defect chemistry. Dysprosium is the most important dopant, acting partially as a donor and partially as an acceptor in this effectively acceptor-doped material. TEM and EELS analysis show the inhomogeneous distribution of Dy in a core-shell microstructure. The oxygen partial pressure and temperature dependence of the oxygen tracer diffusion coefficients is analysed and explained by the complex defect chemistry of Dy-doped barium titanate. Additional fast diffusion profiles are attributed to fast diffusion along grain boundaries. In addition to the barium titanate ceramics from an important technical application, oxygen diffusion in cubic, nominally undoped BaTiO 3 single crystals has been studied by means of 18 O 2 / 16 O 2 isotope exchange annealing and subsequent determination of the isotope profiles in the solid by ToF-SIMS. It is shown that a correct description of the diffusion profiles requires the analysis of the diffusion through the surface space-charge into the material's bulk. Surface exchange coefficients, space-charge potentials and bulk diffusion coefficients are analysed as a function of oxygen partial pressure and temperature. The

Influence of injected charge carriers on photocurrents in polymer solar cells

NARCIS (Netherlands)

Wehenkel, D.J.; Koster, L.J.A.; Wienk, M.M.; Janssen, R.A.J.

2012-01-01

We determine and analyze the photocurrent Jph in polymer solar cells under conditions where, no, one, or two different charge carriers can be injected by choosing appropriate electrodes and compare the experimental results to simulations based on a drift-diffusion device model that accounts for

Correlation between Photoluminescence and Carrier Transport and a Simple In Situ Passivation Method for High-Bandgap Hybrid Perovskites.

Science.gov (United States)

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.

Point defect states in Sb-doped germanium

Energy Technology Data Exchange (ETDEWEB)

Patel, Neil S., E-mail: neilp@mit.edu; Monmeyran, Corentin, E-mail: comonmey@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Agarwal, Anuradha [Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Kimerling, Lionel C. [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States)

2015-10-21

Defect states in n-type Sb-doped germanium were investigated by deep-level transient spectroscopy. Cobalt-60 gamma rays were used to generate isolated vacancies and interstitials which diffuse and react with impurities in the material to form four defect states (E{sub 37}, E{sub 30}, E{sub 22}, and E{sub 21}) in the upper half of the bandgap. Irradiations at 77 K and 300 K as well as isothermal anneals were performed to characterize the relationships between the four observable defects. E{sub 37} is assigned to the Sb donor-vacancy associate (E-center) and is the only vacancy containing defect giving an estimate of 2 × 10{sup 11 }cm{sup −3} Mrad{sup −1} for the uncorrelated vacancy-interstitial pair introduction rate. The remaining three defect states are interstitial associates and transform among one another. Conversion ratios between E{sub 22}, E{sub 21}, and E{sub 30} indicate that E{sub 22} likely contains two interstitials.

Effects of Te inclusions on charge-carrier transport properties in CdZnTe radiation detectors

International Nuclear Information System (INIS)

Gu, Yaxu; Rong, Caicai; Xu, Yadong; Shen, Hao; Zha, Gangqiang; Wang, Ning; Lv, Haoyan; Li, Xinyi; Wei, Dengke; Jie, Wanqi

2015-01-01

Highlights: • This work reveals the behaviors of Te inclusion in affecting charge-carrier transport properties in CdZnTe detectors for the first time and analysis the mechanism therein. • The results show that charge collection efficiencies in Te inclusion degraded regions experience fast ascent under low biases and slow descent at high applied biases, which deviates from the Hecht rule. • This phenomenon is attributed to the competitive influence of two mechanisms under different biases, namely charge carrier trapping due to uniformly distributed point defects and Te inclusion induced transient charge loss. • A modified Hecht equation is further proposed to explain the effects of high-density localized defects, say Te inclusions, on the charge collection efficiency. • We believe that this research has wide appeal to analyze the macroscopic defects and their influence on charge transport properties in semiconductor radiation detectors. - Abstract: The influence of tellurium (Te) inclusions on the charge collection efficiency in cadmium zinc telluride (CdZnTe or CZT) detectors has been investigated using ion beam induced charge (IBIC) technique. Combining the analysis of infrared transmittance image, most of the low charge collection areas in the IBIC images prove the existence of Te inclusions. To further clarify the role of Te inclusions on charge transport properties, bias dependent local IBIC scan was performed on Te inclusion related regions from 20 V to 500 V. The result shows that charge collection efficiencies in Te inclusion degraded regions experience fast ascent under low biases and slow descent at high applied biases, which deviates from Hecht rule. This behavior is attributed to the competitive influence of two mechanisms under different biases, namely charge carrier trapping due to uniformly distributed point defects and Te inclusion induced transient charge loss. A modified Hecht equation is further proposed to explain the effects of high

Nature of oxygen donors and radiation defects in oxygen-doped germanium

International Nuclear Information System (INIS)

Fukuoka, Noboru; Atobe, Kozo; Honda, Makoto; Matsuda, Koji.

1991-01-01

The nature of oxygen donors and radiation defects in oxygen-doped germanium were studied through measurements of the infrared absorption spectrum, deep level transient spectroscopy spectrum and carrier concentration. It is revealed that a new donor is not formed in oxygen-doped germanium. An A-center (interstitial oxygen-vacancy pair) forms a complex with a thermal donor in its annealing stage at 60degC-140degC. The introduction rate of defects by 1.5 MeV electron irradiation was enhanced in thermal-donor-doped samples. (author)

Modeling of radiation damage recovery in particle detectors based on GaN

Energy Technology Data Exchange (ETDEWEB)

Gaubas, E., E-mail: eugenijus.gaubas@ff.vu.lt; Ceponis, T.; Pavlov, J.

2015-12-15

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.

Fundamental aspects on ion-beam surface modification: defect production and migration processes

International Nuclear Information System (INIS)

Rehn, L.E.; Averback, R.S.; Okamoto, P.R.

1984-09-01

Ion-beam modification of metals is generating increasing scientific interest not only because it has exciting technological potential, but also because it has raised fundamental questions concerning radiation-induced diffusion processes. In addition to the implanted species, several defect production and migration mechanisms contribute to changes in the near-surface composition of an alloy during ion bombardment, e.g., atoms exchange positions via displacements and replacement sequences; preferential sputtering effects arise; radiation-enhanced diffusion and radiation-induced segregation occur. The latter two defect migration mechanisms are of particular significance since they can alter the composition to depths which are much greater than the implanted ion range. By altering various parameters such as irradiation temperature, ion mass, energy, and current density, and initial alloying distributions, a rich variety of near-surface composition profiles can be created. We have utilized changes in ion mass and energy, and irradiation temperature to distinguish defect production from defect migration effects. Experimental results are presented which provide a guide to the relative efficiencies of different mechanisms under various irradiation conditions. 46 references

Research in Hydrogen Passivation of Defects and Impurities in Silicon: Final Report, 2 May 2000-2 July 2003

International Nuclear Information System (INIS)

Ashok, S.

2004-01-01

This subcontract report describes hydrogenating Si samples by different methods such as low-energy implantation, electron cyclotron resonance (ECR) plasma, and thermal diffusion. The samples were provided through NREL. The experimental work, carried out at Penn State, involved the study of hydrogen interaction with defects, trapping, migration, and formation of complexes. The principal vehicle for the latter study was ion implantation, and the intent to understand mechanisms of defect passivation and activation by hydrogen. NREL implemented a study of hydrogen passivation of impurities and defects in silicon solar cells. The work included theoretical and experimental components performed at different universities. The theoretical studies consisted of the calculation of the structure and parameters related to hydrogen diffusion and interactions of hydrogen with transition-metal impurities in silicon. Experimental studies involved measurements of hydrogen and hydrogen-impurity complexes, and diffusion properties of various species of hydrogen in Si. The experimental work at Penn State included introduction of hydrogen in a variety of PV Si by ECR plasma, low-energy ion implantation, and thermal diffusion. The specific tasks were the evaluation of hydrogen interaction with defects engineered by ion implantation; defect passivation, activation, and migration in hydrogenated Si under thermal anneal; and electrical activity of hydrogen-impurity complexes. Electrical characterization entailed I-V and C-V measurements, spreading resistance, and deep-level transient spectroscopy (DLTS)

Thermodynamic modelling of fast dopant diffusion in Si

Science.gov (United States)

Saltas, V.; Chroneos, A.; Vallianatos, F.

2018-04-01

In the present study, nickel and copper fast diffusion in silicon is investigated in the framework of the cBΩ thermodynamic model, which connects point defect parameters with the bulk elastic and expansion properties. All the calculated point defect thermodynamic properties (activation Gibbs free energy, activation enthalpy, activation entropy, and activation volume) exhibit temperature dependence due to the non-linear anharmonic behavior of the isothermal bulk modulus of Si. Calculated activation enthalpies (0.15-0.16 eV for Ni and 0.17-0.19 eV for Cu) are in agreement with the reported experimental results. Small values of calculated activation volumes for both dopants (˜4% of the mean atomic volume) are consistent with the interstitial diffusion of Ni and Cu in Si.

DLTS and capacitance transients study of defects induced by neutron irradiation in MOS structures CCD process

International Nuclear Information System (INIS)

Ahaitouf, A.; Losson, E.; Charles, J.P.

1999-01-01

The aim of this paper is to study neutron irradiation effects on PMOS capacitors and NMOSFETs transistors. The characterization of induced defects was made by capacitance transients C(t) measurements, DLTS spectroscopy, and optical DLTS (ODLTS). DLTS spectra present three peaks due to deep levels created in the semiconductor and two peaks due to minority carrier generation. Two levels are reported in the literature. Two other minority carrier traps have been observed on ODLTS spectra after irradiation. This can explain the decrease of the minority carrier generation lifetime observed by capacitance transients measurements. (authors)

Mobility of charge carriers in electron-irradiated crystals of n-type Hg0.8Cd0.2Te

International Nuclear Information System (INIS)

Voitsekhovskii, A.V.; Kiryushkin, E.M.; Kokhanenko, A.P.; Kurbanov, K.R.; Lilenko, Yu.V.

1988-01-01

We present the results of an investigation of the behavior of the mobility of the charge carriers in Hg 1-x Cd x Te crystals with n-type conduction as a function of the dose of irradiation by electrons with an energy of 3.0 MeV at 300 K and the initial content of defects in the material. The complex character of the variation of the mobility of the electrons as a function of the dose observed when crystals of n-Hg 1-x Cd x Te (x ∼ 0.20) with different initial concentrations of defects are irradiated by fast electrons has been attributed to the influence of the factors of the shielding of the ionized scattering centers by electrons and the additional scattering of the charge carriers on the radiation defects. Good agreement between the experimental and calculated plots of the dependence of the mobility of electrons on the irradiation dose has been obtained with consideration of a model of the simultaneous introduction of donor (single charged) and acceptor (doubly charged) defects into a narrow-band semiconductor characterized by a degenerate and nonparabolic conduction band

Impurity diffusion in transition-metal oxides

International Nuclear Information System (INIS)

Peterson, N.L.

1982-06-01

Intrinsic tracer impurity diffusion measurements in ceramic oxides have been primarily confined to CoO, NiO, and Fe 3 O 4 . Tracer impurity diffusion in these materials and TiO 2 , together with measurements of the effect of impurities on tracer diffusion (Co in NiO and Cr in CoO), are reviewed and discussed in terms of impurity-defect interactions and mechanisms of diffusion. Divalent impurities in divalent solvents seem to have a weak interaction with vacancies whereas trivalent impurities in divalent solvents strongly influence the vacancy concentrations and significantly reduce solvent jump frequencies near a trivalent impurity. Impurities with small ionic radii diffuse more slowly with a larger activation energy than impurities with larger ionic radii for all systems considered in this review. Cobalt ions (a moderate size impurity) diffuse rapidly along the open channels parallel to the c-axis in TiO 2 whereas chromium ions (a smaller-sized impurity) do not. 60 references, 11 figures

Theory of quantum diffusion in biased semiconductors

CERN Document Server

Bryksin, V V

2003-01-01

A general theory is developed to describe diffusion phenomena in biased semiconductors and semiconductor superlattices. It is shown that the Einstein relation is not applicable for all field strengths so that the calculation of the field-mediated diffusion coefficient represents a separate task. Two quite different diffusion contributions are identified. The first one disappears when the dipole operator commutes with the Hamiltonian. It plays an essential role in the theory of small polarons. The second contribution is obtained from a quantity that is the solution of a kinetic equation but that cannot be identified with the carrier distribution function. This is in contrast to the drift velocity, which is closely related to the distribution function. A general expression is derived for the quantum diffusion regime, which allows a clear physical interpretation within the hopping picture.

Calculation of self-diffusion coefficients in iron

Directory of Open Access Journals (Sweden)

Baohua Zhang

2014-01-01

Full Text Available On the basis of available P-V-T equation of state of iron, the temperature and pressure dependence of self-diffusion coefficients in iron polymorphs (α, δ, γ and ɛ phases have been successfully reproduced in terms of the bulk elastic and expansivity data by means of a thermodynamical model that interconnects point defects parameters with bulk properties. The calculated diffusion parameters, such as self-diffusion coefficient, activation energy and activation volume over a broad temperature range (500-2500 K and pressure range (0-100 GPa, compare favorably well with experimental or theoretical ones when the uncertainties are considered.

Study on the defects detection in composites by using optical position and infrared thermography

Energy Technology Data Exchange (ETDEWEB)

Kwn, Koo Ahn; Choi, Man Yong; Park, Jeong Hak; Choi, Won Jae [Safety Measurement Center, Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of); Park, Hee Sang [Dept. of Research and Development, Korea Research Institute of Smart Material and Structures System Association, Daejeon (Korea, Republic of)

2016-04-15

Non-destructive testing methods for composite materials (e.g., carbon fiber-reinforced and glass fiber-reinforced plastic) have been widely used to detect damage in the overall industry. This study detects defects using optical infrared thermography. The transient heat transport in a solid body is characterized by two dynamic quantities, namely, thermal diffusivity and thermal effusivity. The first quantity describes the speed with thermal energy diffuses through a material, whereas the second one represents a type of thermal inertia. The defect detection rate is increased by utilizing a lock-in method and performing a comparison of the defect detection rates. The comparison is conducted by dividing the irradiation method into reflection and transmission methods and the irradiation time into 50 mHz and 100 mHz. The experimental results show that detecting defects at 50 mHz is easy using the transmission method. This result implies that low-frequency thermal waves penetrate a material deeper than the high-frequency waves.

Enhancing Charge Carrier Lifetime in Metal Oxide Photoelectrodes through Mild Hydrogen Treatment

KAUST Repository

Jang, Ji-Wook

2017-08-25

Widespread application of solar water splitting for energy conversion is largely dependent on the progress in developing not only efficient but also cheap and scalable photoelectrodes. Metal oxides, which can be deposited with scalable techniques and are relatively cheap, are particularly interesting, but high efficiency is still hindered by the poor carrier transport properties (i.e., carrier mobility and lifetime). Here, a mild hydrogen treatment is introduced to bismuth vanadate (BiVO4), which is one of the most promising metal oxide photoelectrodes, as a method to overcome the carrier transport limitations. Time-resolved microwave and terahertz conductivity measurements reveal more than twofold enhancement of the carrier lifetime for the hydrogen-treated BiVO4, without significantly affecting the carrier mobility. This is in contrast to the case of tungsten-doped BiVO4, although hydrogen is also a donor type dopant in BiVO4. The enhancement in carrier lifetime is found to be caused by significant reduction of trap-assisted recombination, either via passivation or reduction of deep trap states related to vanadium antisite on bismuth or vanadium interstitials according to density functional theory calculations. Overall, these findings provide further insights on the interplay between defect modulation and carrier transport in metal oxides, which benefit the development of low-cost, highly-efficient solar energy conversion devices.

Dynamics of simple defect clusters in alkaline earth fluorides

International Nuclear Information System (INIS)

Haridasan, T.M.; Sekar, P.

1988-08-01

The effect of isolated F - vacancies and interstitials on the Dobye Waller Factors of their neighbours is studied. The perturbation due to the introduction of the defect is calculated using the scattering theory. The critical jump amplitude in the diffusion process is fitted to reproduce the experimental migration energy. The diffusion coefficient for the vacancy mechanism is estimated to be larger than that for the interstitialcy mechanism in the superionic region. (author). 21 refs, 8 figs, 2 tabs

Nickel in silicon: Room-temperature in-diffusion and interaction with radiation defects

Energy Technology Data Exchange (ETDEWEB)

Yarykin, Nikolai [Institute of Microelectronics Technology, RAS, Chernogolovka (Russian Federation); Weber, Joerg [Technische Universitaet Dresden (Germany)

2017-07-15

Nickel is incorporated into silicon wafers during chemomechanical polishing in an alkaline Ni-contaminated slurry at room temperature. The nickel in-diffusion is detected by DLTS depth profiles of a novel Ni{sub 183} level, which is formed due to a reaction between the diffusing nickel and the VO centers introduced before the polishing. The Ni{sub 183} profile extends up to 10 μm after a 2 min polishing. The available data provide a lower estimate for the room-temperature nickel diffusivity D{sub Ni} > 10{sup -9} cm{sup 2} s{sup -1}. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Self-organized defect strings in two-dimensional crystals.

Science.gov (United States)

Lechner, Wolfgang; Polster, David; Maret, Georg; Keim, Peter; Dellago, Christoph

2013-12-01

Using experiments with single-particle resolution and computer simulations we study the collective behavior of multiple vacancies injected into two-dimensional crystals. We find that the defects assemble into linear strings, terminated by dislocations with antiparallel Burgers vectors. We show that these defect strings propagate through the crystal in a succession of rapid one-dimensional gliding and rare rotations. While the rotation rate decreases exponentially with the number of defects in the string, the diffusion constant is constant for large strings. By monitoring the separation of the dislocations at the end points, we measure their effective interactions with high precision beyond their spontaneous formation and annihilation, and we explain the double-well form of the dislocation interaction in terms of continuum elasticity theory.

Quasiparticle Scattering in the Rashba Semiconductor BiTeBr: The Roles of Spin and Defect Lattice Site.

Science.gov (United States)

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.

Simulations of Operation Dynamics of Different Type GaN Particle Sensors

Science.gov (United States)

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

Minority-carrier transport in InGaAsSb thermophotovoltaic diodes

International Nuclear Information System (INIS)

Charache, G.; Martinelli, R.U.; Garbuzov, D.Z.; Lee, H.; Morris, N.; Odubanjo, T.; Connolly, J.C.

1997-05-01

Uncoated InGaAsSb/GaSb thermophotovoltaic (TPV) diodes with 0.56 eV (2.2 microm) bandgaps exhibit external quantum efficiencies of 59% at 2 microm. The devices have electron diffusion lengths as long as 29 microm in 8-microm-wide p-InGaAsSb layers and hole diffusion lengths of 3 microm in 6-microm-wide n-InGaAsSb layers. The electron and hole diffusion lengths appear to increase with increasing p- and n-layer widths. At 632.8 nm the internal quantum efficiencies of diodes with 1- to 8-microm-wide p-layers are above 89% and are independent of the p-layer width, indicating long electron diffusion lengths. InGaAsSb has, therefore, excellent minority carrier transport properties that are well suited to efficient TPV diode operation. The structures were grown by molecular-beam epitaxy

Self-diffusion in single crystalline silicon nanowires

Science.gov (United States)

Südkamp, T.; Hamdana, G.; Descoins, M.; Mangelinck, D.; Wasisto, H. S.; Peiner, E.; Bracht, H.

2018-04-01

Self-diffusion experiments in single crystalline isotopically controlled silicon nanowires with diameters of 70 and 400 nm at 850 and 1000 °C are reported. The isotope structures were first epitaxially grown on top of silicon substrate wafers. Nanowires were subsequently fabricated using a nanosphere lithography process in combination with inductively coupled plasma dry reactive ion etching. Three-dimensional profiling of the nanosized structure before and after diffusion annealing was performed by means of atom probe tomography (APT). Self-diffusion profiles obtained from APT analyses are accurately described by Fick's law for self-diffusion. Data obtained for silicon self-diffusion in nanowires are equal to the results reported for bulk silicon crystals, i.e., finite size effects and high surface-to-volume ratios do not significantly affect silicon self-diffusion. This shows that the properties of native point defects determined from self-diffusion in bulk crystals also hold for nanosized silicon structures with diameters down to 70 nm.

Effect of Simvastatin collagen graft on wound healing of defective bone

International Nuclear Information System (INIS)

Kang, Jun Ho; Kim, Gyu Tae; Choi, Yong Suk; Lee, Hyeon Woo; Hwang, Eui Hwan

2008-01-01

To observe and evaluate the effects of Simvastatin-induced osteogenesis on the wound healing of defective bone. 64 defective bones were created in the parietal bone of 32 New Zealand White rabbits. The defects were grafted with collagen matrix carriers mixed with Simvastatin solution in the experimental group of 16 rabbits and with collagen matrix carriers mixed with water in the controlled group. The rabbits were terminated at an interval of 3, 5, 7, and 9 days, 2, 4, 6, and 8 weeks after the formation of defective bone. The wound healing was evaluated by soft X-ray radiography. The tissues within defective bones were evaluated through the analysis of flow cytometry for the manifestation of Runx2 and Osteocalcin, and observed histopathologically by using H-E stain and Masson's trichrome stain. Results : 1. In the experimental group, flow cytometry revealed more manifestation of Runx2 at 5, 7, and 9 days and Osteocalcin at 2 weeks than in the controlled groups, but there was few difference in comparison with the controlled group. 2. In the experimental group, flow cytometry revealed considerably more cells and erythrocytes at 5, 7, and 9 days in comparison with the controlled group. 3. In the experimental group, soft x-ray radiography revealed the extended formation of trabeculation at 2, 4, 6, and 8 weeks. 4. Histopathological features of the experimental group showed more fibroblasts and newly formed vessels at 5 and 7 days, and the formation of osteoid tissues at 9 days, and the newly formed trabeculations at 4 and 6 weeks. As the induced osteogenesis by Simvastatin, there was few contrast of the manifestation between Runx2 and Osteocalcin based on the differentiation of osteoblasts. But it was considered that the more formation of cells and erythrocytes depending on newly formed vessels in the experimental group obviously had an effect on the bone regeneration.

Characterization of lacunar defects by positrons annihilation

International Nuclear Information System (INIS)

Barthe, M.F.; Corbel, C.; Blondiaux, G.

2003-01-01

Among the nondestructive methods for the study of matter, the positrons annihilation method allows to sound the electronic structure of materials by measuring the annihilation characteristics. These characteristics depend on the electronic density as seen by the positon, and on the electron momentums distribution which annihilate with the positon. The positon is sensible to the coulombian potential variations inside a material and sounds preferentially the regions away from nuclei which represent potential wells. The lacunar-type defects (lack of nuclei) represent deep potential wells which can trap the positon up to temperatures close to the melting. This article describes the principles of this method and its application to the characterization of lacunar defects: 1 - positrons: matter probes (annihilation of electron-positon pairs, annihilation characteristics, positrons sources); 2 - positrons interactions in solids (implantation profiles, annihilation states, diffusion and trapping, positon lifetime spectrum: evolution with the concentration of defects); 3 - measurement of annihilation characteristics with two gamma photons (lifetime spectroscopy with the β + 22 Na isotope, spectroscopy of Doppler enlargement of the annihilation line); 4 - determination of the free volume of defects inside or at the surface of materials (annihilation signature in lacunar defects, lacuna, lacunar clusters and cavities, acceptors nature in semiconductors: ionic or lacunar, interface defects, precipitates in alloys); 5 - conclusions. (J.S.)

Defect formation in n-type InP at elevated temperatures of irradiation

International Nuclear Information System (INIS)

Kozlovskij, V.V.; Kol'chenko, T.I.; Lomako, V.M.; Moroz, S.E.

1990-01-01

Effect of irradiation temperature within 25-250 deg C traps in InP. Rate of most deep level introduction, as well as, rate of charge carrier removing at the increase of irradiation temperature are shown to decrease and it is explained by defect annealing occuring simultaneously with irradiation

Indium antimonide crystal defects formed by fast neutron irradiation

International Nuclear Information System (INIS)

Vitovskij, N.A.; Dolgolenko, A.P.; Mashovets, T.V.; Oganesyan, O.V.

1979-01-01

It is shown, that indium antimonide irradiation with fast neutrons of reactor results in the formation of disorded regions with a mean radius of approximately 130 A surrounded with space charge regions forming barriers for main carriers. But the found values of defect cluster depolarization coefficient (Lsub(x)sup(n)=0.18 and Lsub(x)sup(p)=0.29) show, that the clusters have marked conductivity for main charge carriers. The found position of the Fermi level in the disorded regions Esub(F)=Esub(c)-0.085 eV does not depend on the impurity type and its concentration in an initial material. The disorded regions play the main part in charge carrier scattering at low temperatures and markedly contribute to the change of mobility at 80 K. It is found, that irradiation temperature change in the range from 77 to 300 K does not effect practically on the disorded region parameters

First principles calculation of point defects and mobility degradation in bulk AlSb for radiation detection application

International Nuclear Information System (INIS)

Lordi, V; Aberg, D; Erhart, P; Wu, K J

2007-01-01

The development of high resolution, room temperature semiconductor radiation detectors requires the introduction of materials with increased carrier mobility-lifetime (μτ) product, while having a band gap in the 1.4-2.2 eV range. AlSb is a promising material for this application. However, systematic improvements in the material quality are necessary to achieve an adequate μτ product. We are using a combination of simulation and experiment to develop a fundamental understanding of the factors which affect detector material quality. First principles calculations are used to study the microscopic mechanisms of mobility degradation from point defects and to calculate the intrinsic limit of mobility from phonon scattering. We use density functional theory (DFT) to calculate the formation energies of native and impurity point defects, to determine their equilibrium concentrations as a function of temperature and charge state. Perturbation theory via the Born approximation is coupled with Boltzmann transport theory to calculate the contribution toward mobility degradation of each type of point defect, using DFT-computed carrier scattering rates. A comparison is made to measured carrier concentrations and mobilities from AlSb crystals grown in our lab. We find our predictions in good quantitative agreement with experiment, allowing optimized annealing conditions to be deduced. A major result is the determination of oxygen impurity as a severe mobility killer, despite the ability of oxygen to compensation dope AlSb and reduce the net carrier concentration. In this case, increased resistivity is not a good indicator of improved material performance, due to the concomitant sharp reduction in μτ

Impurity diffusion, point defect engineering, and surface/interface passivation in germanium

KAUST Repository

Chroneos, Alexander I.; Schwingenschlö gl, Udo; Dimoulas, Athanasios Dimoulas

2012-01-01

in view of recent results. The importance of electrically active defects on the Ge surface and interfaces is addressed considering strategies to suppress them and to passivate the surfaces/interfaces, bearing in mind their importance for advanced devices

Impact of interstitial iron on the study of meta-stable B-O defects in Czochralski silicon: Further evidence of a single defect

Science.gov (United States)

Kim, Moonyong; Chen, Daniel; Abbott, Malcolm; Nampalli, Nitin; Wenham, Stuart; Stefani, Bruno; Hallam, Brett

2018-04-01

We explore the influence of interstitial iron (Fei) on lifetime spectroscopy of boron-oxygen (B-O) related degradation in p-type Czochralski silicon. Theoretical and experimental evidence presented in this study indicate that iron-boron pair (Fe-B) related reactions could have influenced several key experimental results used to derive theories on the fundamental properties of the B-O defect. Firstly, the presence of Fei can account for higher apparent capture cross-section ratios (k) of approximately 100 observed in previous studies during early stages of B-O related degradation. Secondly, the association of Fe-B pairs can explain the initial stage of a two-stage recovery of carrier lifetime with dark annealing after partial degradation. Thirdly, Fei can result in high apparent k values after the permanent deactivation of B-O defects. Subsequently, we show that a single k value can describe the recombination properties associated with B-O defects throughout degradation, that the recovery during dark annealing occurs with a single-stage, and both the fast- and slow-stage B-O related degradation can be permanently deactivated during illuminated annealing. Accounting for the recombination activity of Fei provides further evidence that the B-O defect is a single defect, rather than two separate defects normally attributed to fast-forming recombination centers and slow-forming recombination centers. Implications of this finding for the nature of the B-O defect are also discussed.

Adsorption, Desorption, Surface Diffusion, Lattice Defect Formation, and Kink Incorporation Processes of Particles on Growth Interfaces of Colloidal Crystals with Attractive Interactions

Directory of Open Access Journals (Sweden)

Yoshihisa Suzuki

2016-07-01

Full Text Available Good model systems are required in order to understand crystal growth processes because, in many cases, precise incorporation processes of atoms or molecules cannot be visualized easily at the atomic or molecular level. Using a transmission-type optical microscope, we have successfully observed in situ adsorption, desorption, surface diffusion, lattice defect formation, and kink incorporation of particles on growth interfaces of colloidal crystals of polystyrene particles in aqueous sodium polyacrylate solutions. Precise surface transportation and kink incorporation processes of the particles into the colloidal crystals with attractive interactions were observed in situ at the particle level. In particular, contrary to the conventional expectations, the diffusion of particles along steps around a two-dimensional island of the growth interface was not the main route for kink incorporation. This is probably due to the number of bonds between adsorbed particles and particles in a crystal; the number exceeds the limit at which a particle easily exchanges its position to the adjacent one along the step. We also found novel desorption processes of particles from steps to terraces, attributing them to the assistance of attractive forces from additionally adsorbing particles to the particles on the steps.

Investigation of UFO defect on DUV CAR and BARC process

Science.gov (United States)

Yet, Siew Ing; Ko, Bong Sang; Lee, Soo Man; May, Mike

2004-05-01

Photo process defect reduction is one of the most important factors to improve the process stability and yield in sub-0.18um DUV process. In this paper, a new approach to minimize the Deep-UV (DUV) Chemically Amplified Resist (CAR) and Bottom Anti-Reflective Coating (BARC) induced defect known as UFO (UnidentiFied Object) defect will be introduced. These defects have mild surface topography difference on BARC; it only exists on the wide exposed area where there is no photoresist pattern. In this test, Nikon KrF Stepper & Scanner and TEL Clean track were used. Investigation was carried out on the defect formulation on both Acetal and ESCAP type of photoresist while elemental analysis was done by Atomic Force Microscope (AFM) & Auger Electron Spectroscopy (AES). Result indicated that both BARC and photoresist induce this UFO defect; total defect quantity is related with Post Exposure Bake (PEB) condition. Based on the elemental analysis and process-split test, we can conclude that this defect is caused by lack of acid amount and low diffusivity which is related to PAG (Photo Acid Generator) and TAG (Thermal Acid Generator) in KrF photoresist and BARC material. By optimizing photoresist bake condition, this UFO defect as well as other related defect such as Satellite defect could be eliminated.

Ultrafast Carrier Trapping of a Metal-Doped Titanium Dioxide Semiconductor Revealed by Femtosecond Transient Absorption Spectroscopy

KAUST Repository

Sun, Jingya; Yang, Yang; Khan, Jafar I.; Alarousu, Erkki; Guo, Zaibing; Zhang, Xixiang; Zhang, Qiang; Mohammed, Omar F.

2014-01-01

We explored for the first time the ultrafast carrier trapping of a metal-doped titanium dioxide (TiO2) semiconductor using broad-band transient absorption (TA) spectroscopy with 120 fs temporal resolution. Titanium dioxide was successfully doped layer-by-layer with two metal ions, namely tungsten and cobalt. The time-resolved data demonstrate clearly that the carrier trapping time decreases progressively as the doping concentration increases. A global-fitting procedure for the carrier trapping suggests the appearance of two time components: a fast one that is directly associated with carrier trapping to the defect state in the vicinity of the conduction band and a slow one that is attributed to carrier trapping to the deep-level state from the conduction band. With a relatively long doping deposition time on the order of 30 s, a carrier lifetime of about 1 ps is obtained. To confirm that the measured ultrafast carrier dynamics are associated with electron trapping by metal doping, we explored the carrier dynamics of undoped TiO2. The findings reported here may be useful for the implementation of high-speed optoelectronic applications and fast switching devices.

Ultrafast Carrier Trapping of a Metal-Doped Titanium Dioxide Semiconductor Revealed by Femtosecond Transient Absorption Spectroscopy

KAUST Repository

Sun, Jingya

2014-06-11

We explored for the first time the ultrafast carrier trapping of a metal-doped titanium dioxide (TiO2) semiconductor using broad-band transient absorption (TA) spectroscopy with 120 fs temporal resolution. Titanium dioxide was successfully doped layer-by-layer with two metal ions, namely tungsten and cobalt. The time-resolved data demonstrate clearly that the carrier trapping time decreases progressively as the doping concentration increases. A global-fitting procedure for the carrier trapping suggests the appearance of two time components: a fast one that is directly associated with carrier trapping to the defect state in the vicinity of the conduction band and a slow one that is attributed to carrier trapping to the deep-level state from the conduction band. With a relatively long doping deposition time on the order of 30 s, a carrier lifetime of about 1 ps is obtained. To confirm that the measured ultrafast carrier dynamics are associated with electron trapping by metal doping, we explored the carrier dynamics of undoped TiO2. The findings reported here may be useful for the implementation of high-speed optoelectronic applications and fast switching devices.

Evolution of end-of-range damage and transient enhanced diffusion of indium in silicon

Science.gov (United States)

Noda, T.

2002-01-01

Correlation of evolution of end-of-range (EOR) damage and transient enhanced diffusion (TED) of indium has been studied by secondary ion mass spectrometry and transmission electron microscopy. A physically based model of diffusion and defect growth is applied to the indium diffusion system. Indium implantation with 200 keV, 1×1014/cm2 through a 10 nm screen oxide into p-type Czochralski silicon wafer was performed. During postimplantation anneal at 750 °C for times ranging from 2 to 120 min, formation of dislocation loops and indium segregation into loops were observed. Simulation results of evolution of EOR defects show that there is a period that {311} defects dissolve and release free interstitials before the Ostwald ripening step of EOR dislocation loops. Our diffusion model that contains the interaction between indium and loops shows the indium pileup to the loops. Indium segregation to loops occurs at a pure growth step of loops and continues during the Ostwald ripening step. Although dislocation loops and indium segregation in the near-surface region are easily dissolved by high temperature annealing, EOR dislocation loops in the bulk region are rigid and well grown. It is considered that indium trapped by loops with a large radius is energetically stable. It is shown that modeling of the evolution of EOR defects is important for understanding indium TED.

Electron scattering in graphene by defects in underlying h-BN layer: First-principles transport calculations

Science.gov (United States)

Kaneko, Tomoaki; Ohno, Takahisa

2018-03-01

We investigate the electronic structure and the transport properties of graphene adsorbed onto h-BN with carbon impurities or atomic vacancies using density functional theory and the non-equilibrium Green's function method. We find that the transport properties are degraded due to carrier doping and scattering off of localized defect states in h-BN. When graphene is doped by introducing defects in h-BN, the transmission spectra become asymmetric owing to the reduction of the electronic density of states, which contributes significantly to the degradation of graphene transport properties as compared with the effect of defect levels.

Energy position of bistable defect (CiCs)0 in 'B' configuration in a forbidden zone of n-Si

International Nuclear Information System (INIS)

Dolgolenko, A.P.; Litovchenko, P.G.; Varentsov, M.D.

2003-01-01

Float-zone and phosphorus-doped n-Si samples after irradiation by fast-pile neutrons and subsequent annealing at room temperature were investigated. The calculation of effective concentration of carriers after irradiation was carried out in the framework of Gossick's model taking into account the recharges of defects both in conducting matrix of n-Si and in the space-charge region of defect clusters. The distribution function of electrons on the acceptor level of bistable defect (C i C s ) 0 when the concentration of this defect is the function of the Fermi level in conducting matrix of n-Si is determined. The concentration of bistable interstitial-carbon-substitutional-carbon pair and its energy level at (E c - 0,123 eV) in forbidden band of silicon were calculated. On the observable level of stable configuration C i C s (A - )-defects at (E c - 0,147 eV) the theoretical change of carriers concentration in the conduction band simulated by the recharges (C i C s ) 0 was imposed. The concentration of these (C i C s ) 0 -defects has been changed in the process of their recharges. It is shown that in n-Si with high carbon and oxygen concentration after affiliating of oxygen atoms to bistable defect (C i C s ) 0 in a forbidden band of n-Si the stable defects not only in 'A' but also in 'B' configurations are formed with energy levels at (E c - 0,13 eV) and (E c - 0,09 eV)

Durability of switchable QR code carriers under hydrolytic and photolytic conditions

International Nuclear Information System (INIS)

Ecker, Melanie; Pretsch, Thorsten

2013-01-01

Following a guest diffusion approach, the surface of a shape memory poly(ester urethane) (PEU) was either black or blue colored. Bowtie-shaped quick response (QR) code carriers were then obtained from laser engraving and cutting, before thermo-mechanical functionalization (programming) was applied to stabilize the PEU in a thermo-responsive (switchable) state. The stability of the dye within the polymer surface and long-term functionality of the polymer were investigated against UVA and hydrolytic ageing. Spectrophotometric investigations verified UVA ageing-related color shifts from black to yellow-brownish and blue to petrol-greenish whereas hydrolytically aged samples changed from black to greenish and blue to light blue. In the case of UVA ageing, color changes were accompanied by dye decolorization, whereas hydrolytic ageing led to contrast declines due to dye diffusion. The Michelson contrast could be identified as an effective tool to follow ageing-related contrast changes between surface-dyed and laser-ablated (undyed) polymer regions. As soon as the Michelson contrast fell below a crucial value of 0.1 due to ageing, the QR code was no longer decipherable with a scanning device. Remarkably, the PEU information carrier base material could even then be adequately fixed and recovered. Hence, the surface contrast turned out to be the decisive parameter for QR code carrier applicability. (paper)

Durability of switchable QR code carriers under hydrolytic and photolytic conditions

Science.gov (United States)

Ecker, Melanie; Pretsch, Thorsten

2013-09-01

Following a guest diffusion approach, the surface of a shape memory poly(ester urethane) (PEU) was either black or blue colored. Bowtie-shaped quick response (QR) code carriers were then obtained from laser engraving and cutting, before thermo-mechanical functionalization (programming) was applied to stabilize the PEU in a thermo-responsive (switchable) state. The stability of the dye within the polymer surface and long-term functionality of the polymer were investigated against UVA and hydrolytic ageing. Spectrophotometric investigations verified UVA ageing-related color shifts from black to yellow-brownish and blue to petrol-greenish whereas hydrolytically aged samples changed from black to greenish and blue to light blue. In the case of UVA ageing, color changes were accompanied by dye decolorization, whereas hydrolytic ageing led to contrast declines due to dye diffusion. The Michelson contrast could be identified as an effective tool to follow ageing-related contrast changes between surface-dyed and laser-ablated (undyed) polymer regions. As soon as the Michelson contrast fell below a crucial value of 0.1 due to ageing, the QR code was no longer decipherable with a scanning device. Remarkably, the PEU information carrier base material could even then be adequately fixed and recovered. Hence, the surface contrast turned out to be the decisive parameter for QR code carrier applicability.

Diffusion in Intrinsic and Highly Doped III-V Semiconductors

CERN Multimedia

Stolwijk, N

2002-01-01

%title\\\\ \\\\Diffusion plays a key role in the fabrication of semiconductor devices. The diffusion of atoms in crystals is mediated by intrinsic point defects. Investigations of the diffusion behaviour of self- and solute atoms on the Ga sublattice of gallium arsenide led to the conclusion that in intrinsic and n-type material charged Ga vacancies are involved in diffusion processes whereas in p-type material diffusion if governed by charged Ga self-interstitials. Concerning the As sublattice of gallium arsenide there is a severe lack of reliable diffusion data. The few available literature data on intrinsic GaAs are not mutually consistent. A systematic study of the doping dependence of diffusion is completely missing. The most basic diffusion process - self-diffusion of As and its temperature and doping dependence - is practically not known. For GaP a similar statement holds.\\\\ \\\\The aim of the present project is to perform a systematic diffusion study of As diffusion in intrinsic and doped GaAs and in GaP. P...

Effect of chemical redox on Gd-doped ceria mass diffusion

DEFF Research Database (Denmark)

Ni, De Wei; de Florio, D.Z.; Marani, Debora

2015-01-01

The valence and size of cations influence mass diffusion and oxygen defects in ceria. Here we show that reduction of Ce4+ to Ce3+, at high temperatures and low oxygen activity, activates fast diffusion mechanisms which depend on the aliovalent cation concentration. As a result, polycrystalline so...... solid solutions with enhanced electrochemical properties are formed....

Defects in silicon carbide grown by fluorinated chemical vapor deposition chemistry

Science.gov (United States)

Stenberg, Pontus; Booker, Ian D.; Karhu, Robin; Pedersen, Henrik; Janzén, Erik; Ivanov, Ivan G.

2018-04-01

Point defects in n- and p-type 4H-SiC grown by fluorinated chemical vapor deposition (CVD) have been characterized optically by photoluminescence (PL) and electrically by deep-level transient spectroscopy (DLTS) and minority carrier transient spectroscopy (MCTS). The results are considered in comparison with defects observed in non-fluorinated CVD growth (e.g., using SiH4 instead of SiF4 as silicon precursor), in order to investigate whether specific fluorine-related defects form during the fluorinated CVD growth, which might prohibit the use of fluorinated chemistry for device-manufacturing purposes. Several new peaks identifying new defects appear in the PL of fluorinated-grown samples, which are not commonly observed neither in other halogenated chemistries, nor in the standard CVD chemistry using silane (SiH4). However, further investigation is needed in order to determine their origin and whether they are related to incorporation of F in the SiC lattice, or not. The electric characterization does not find any new electrically-active defects that can be related to F incorporation. Thus, we find no point defects prohibiting the use of fluorinated chemistry for device-making purposes.

A high resolution EELS study of free-carrier variations in H2+/H+ bombarded (100)GaAs

International Nuclear Information System (INIS)

Dubois, L.H.; Schwartz, G.P.

1984-01-01

High resolution electron energy loss spectroscopy (EELS) has been used to examine whether thermal recovery of the near-surface free-carrier concentration in Te-doped (100) GaAs is accomplished following low energy (250--1500 eV) hydrogen ion bombardment. For hydrogen ion impact energies below 500 eV, the nominal bulk free-carrier density is recovered by annealing at 725 K for 2 h. For comparable ion doses, the net free-carrier concentration decreases monotonically at higher impact energies under similar annealing conditions. The threshold for damage retention occurs close to the value of transmitted energy which is necessary to create either a Ga or an As interstitial point defect

Early Infantile Leigh-like Gene Defects Have a Poor Prognosis: Report and Review

Directory of Open Access Journals (Sweden)

Majid Alfadhel

2017-10-01

Full Text Available Solute carrier family 19 (thiamine transporter, member 3 ( SCL19A3 gene defect produces an autosomal recessive neurodegenerative disorder associated with different phenotypes and acronyms. One of the common presentations is early infantile lethal Leigh-like syndrome. We report a case of early infantile Leigh-like SLC19A3 gene defects of patients who died at 4 months of age with no response to a high dose of biotin and thiamine. In addition, we report a novel mutation that was not reported previously. Finally, we review the literature regarding early infantile Leigh-like SLC19A3 gene defects and compare the literature with our patient.

Nonthermal Effects of Photon Illumination on Surface Diffusion

International Nuclear Information System (INIS)

Ditchfield, R.; Llera-Rodriguez, D.; Seebauer, E.G.

1998-01-01

Nonthermal influences of photon illumination on surface diffusion at high temperatures have been measured experimentally for the first time. Activation energies and preexponential factors for diffusion of germanium and indium on silicon change substantially in response to illumination by photons having energies greater than the substrate band gap. Results depend on doping type. Ionization of surface vacancies by photogenerated charge carriers seems to play a key role. The results have significant implications for aspects of microelectronics fabrication governed by surface mobility. copyright 1998 The American Physical Society

Issues in first-principles calculations for defects in semiconductors and oxides

International Nuclear Information System (INIS)

Nieminen, Risto M

2009-01-01

Recent advances in density-functional theory (DFT) calculations of defect electronic properties in semiconductors and insulators are discussed. In particular, two issues are addressed: the band-gap underestimation of standard density-functional methods with its harmful consequences for the positioning of defect-related levels in the band-gap region, and the slow convergence of calculated defect properties when the periodic supercell approach is used. Systematic remedies for both of these deficiencies are now available, and are being implemented in the context of popular DFT codes. This should help in improving the parameter-free accuracy and thus the predictive power of the methods to enable unambiguous explanation of defect-related experimental observations. These include not only the various fingerprint spectroscopies for defects but also their thermochemistry and dynamics, i.e. the temperature-dependent concentration and diffusivities of defects under various doping conditions and in different stoichiometries

First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device

International Nuclear Information System (INIS)

Clima, Sergiu; Chen, Yang Yin; Goux, Ludovic; Govoreanu, Bogdan; Degraeve, Robin; Fantini, Andrea; Jurczak, Malgorzata; Chen, Chao Yang; Pourtois, Geoffrey

2016-01-01

Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices.

First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device

Energy Technology Data Exchange (ETDEWEB)

Clima, Sergiu, E-mail: clima@imec.be; Chen, Yang Yin; Goux, Ludovic; Govoreanu, Bogdan; Degraeve, Robin; Fantini, Andrea; Jurczak, Malgorzata [imec, Kapeldreef 75, 3001 Leuven (Belgium); Chen, Chao Yang [imec, Kapeldreef 75, 3001 Leuven (Belgium); Katholieke Universiteit Leuven, 3001 Leuven (Belgium); Pourtois, Geoffrey [imec, Kapeldreef 75, 3001 Leuven (Belgium); PLASMANT, University of Antwerp, 2610 Antwerpen (Belgium)

2016-06-14

Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices.

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

Science.gov (United States)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

Co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO

International Nuclear Information System (INIS)

Feng, Wu-Wei; Cho, Sunglae; Wang, Ming-Song; Dung, Dang Duc

2016-01-01

Highlights: • Native defects cannot explain large increase of resistance of the sample after 200 °C-annealing. • Native defects cannot explain changes of carrier concentration being in range of few orders lower than for stoichiometry. • Above two important phenomena can be explained by H-related defects. • n-type conductivity in ZnO cannot be solely ascribed to H-defects or native defects, both could be contributor. • The contribution of CH_x to the majority of n-type conductivity was ruled out. - Abstract: We reinvestigated the origin of n-type conductivity in the unintentionally-doped ZnO. 1000 °C-annealed sample was free of H- and C-related impurities and still demonstrated strong conductivity revealing the significant contribution of native defects to the n-type conductivity of ZnO. However, it is hydrogen impurities, rather than native defects, that can only explain the increase of sample resistivity after annealing in Ar at 200 °C and the small difference in the variation of carrier density upon considerable changes of the stoichiometry of sample. In this regard, we proposed that co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO in general, and the hydrogen impurities probably are the preferential origin responsible for the strong conductivity in ZnO if they exist substantially in the sample.

Co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO

Energy Technology Data Exchange (ETDEWEB)

Feng, Wu-Wei, E-mail: wfeng@cugb.edu.cn [School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China); Cho, Sunglae, E-mail: slcho@ulsan.ac.kr [Department of Physics, University of Ulsan, Ulsan 680-749 (Korea, Republic of); Wang, Ming-Song [School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Dung, Dang Duc [Department of General Physics, School of Engineering Physics, Ha Noi University of Science and Technology, 1 Dai Co Viet Road, Ha Noi (Viet Nam)

2016-01-28

Highlights: • Native defects cannot explain large increase of resistance of the sample after 200 °C-annealing. • Native defects cannot explain changes of carrier concentration being in range of few orders lower than for stoichiometry. • Above two important phenomena can be explained by H-related defects. • n-type conductivity in ZnO cannot be solely ascribed to H-defects or native defects, both could be contributor. • The contribution of CH{sub x} to the majority of n-type conductivity was ruled out. - Abstract: We reinvestigated the origin of n-type conductivity in the unintentionally-doped ZnO. 1000 °C-annealed sample was free of H- and C-related impurities and still demonstrated strong conductivity revealing the significant contribution of native defects to the n-type conductivity of ZnO. However, it is hydrogen impurities, rather than native defects, that can only explain the increase of sample resistivity after annealing in Ar at 200 °C and the small difference in the variation of carrier density upon considerable changes of the stoichiometry of sample. In this regard, we proposed that co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO in general, and the hydrogen impurities probably are the preferential origin responsible for the strong conductivity in ZnO if they exist substantially in the sample.

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

Science.gov (United States)

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.

In vivo evaluation of a simvastatin-loaded nanostructured lipid carrier for bone tissue regeneration

International Nuclear Information System (INIS)

Yue, Xinxin; Niu, Mao; Zhang, Te; Wang, Cheng; Wu, Wangxi; Zhang, Qi; Lai, Chunhua; Zhou, Lei; Wang, Zhonglei

2016-01-01

Alveolar bone loss has long been a challenge in clinical dental implant therapy. Simvastatin (SV) has been demonstrated to exert excellent anabolic effects on bone. However, the successful use of SV to increase bone formation in vivo largely depends on the local concentration of SV at the site of action, and there have been continuing efforts to develop an appropriate delivery system. Specifically, nanostructured lipid carrier (NLC) systems have become a popular type of encapsulation carrier system. Therefore, SV-loaded NLCs (SNs) (179.4 nm in diameter) were fabricated in this study, and the osteogenic effect of the SNs was evaluated in a critical-sized rabbit calvarial defect. Our results revealed that the SNs significantly enhanced bone formation in vivo, as evaluated by hematoxylin and eosin (HE) staining, immunohistochemistry, and a fluorescence analysis. Thus, this novel nanostructured carrier system could be a potential encapsulation carrier system for SV in bone regeneration applications. (paper)

Study of correlation between the structural defects and inhomogeneities of CDTE based radiation detectors used for medical imaging

International Nuclear Information System (INIS)

Buis, Camille

2013-01-01

In the present Ph.D. thesis, we investigate microstructural defects in a chlorine-doped cadmium telluride crystal (CdTe:Cl), to understand the relationship between defects and performance of CdTe-based radiation detectors. Characterization tools, such as diffraction topography and chemical etching, are used for bulk and surface investigations of the distribution of dislocations. Dislocations are arranged into walls. Most of them appear to cross the whole thickness of the sample. Very good correlation is observed between areas with variations of dark-current and photo-current, and positions of the dislocation walls revealed at the surface of the sample. Then spectroscopic analysis of these defects was performed at low temperatures. It highlighted that dislocation walls induce non-radiative recombination, but it didn't show any Y luminescence usually attributed to dislocations in the literature. Ion Beam Induced Current (IBIC) measurements were used to evaluate the influence of dislocation walls on charge carrier transport properties. This experiment shows that they reduce the mobility-lifetime product of the charge carriers. A very clear correlation was, in fact, established between the distribution of the dislocation network and the linear defects revealed by their lower CIE on the device. (author) [fr

Interaction of point intrinsic defects in n-type indium phosphide with acceptor clusters

International Nuclear Information System (INIS)

Vitovskij, N.A.; Lagunova, T.S.; Rakhimov, O.

1984-01-01

The rates of implanting defects of donor- and acceptor type stable at room temperature in n-InP during gamma irradiation are found to vary versus the compensating impurity type. Zinc atoms interact with defects most actively. Irradiation also brings about the growth of acceptor clusters, this growth being most markedly expressed in InP . The presence of an additional mechanism of charge-carriers scattering associated with the existence of clusters of compensating centres is verified, the temperature dependence of the effectiveness of this mechanism μ approximately Tsup(-1.2) is found

Surface/Interface Carrier-Transport Modulation for Constructing Photon-Alternative Ultraviolet Detectors Based on Self-Bending-Assembled ZnO Nanowires.

Science.gov (United States)

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.

Novel rattling of K atoms in aluminium-doped defect pyrochlore tungstate

International Nuclear Information System (INIS)

Shoko, Elvis; Kearley, Gordon J; Peterson, Vanessa K; Thorogood, Gordon J; Mutka, Hannu; Koza, Michael M; Yamaura, Jun-ichi; Hiroi, Zenji

2014-01-01

Rattling dynamics have been identified as fundamental to superconductivity in defect pyrochlore osmates and aluminium vanadium intermetallics, as well as low thermal conductivity in clathrates and filled skutterudites. Combining inelastic neutron scattering (INS) measurements and ab initio molecular dynamics (MD) simulations, we use a new approach to investigate rattling in the Al-doped defect pyrochlore tungstates: AAl 0.33 W 1.67 O 6 (A = K, Rb, Cs). We find that although all the alkali metals rattle, the rattling of the K atoms is unique, not only among the tungstates but also among the analogous defect osmates, KOs 2 O 6 and RbOs 2 O 6 . Detailed analysis of the MD trajectories reveals that two unique features set the K dynamics apart from the rest, namely, (1) quasi one-dimensional local diffusion within a cage, and (2) vibration at a range of frequencies. The local diffusion is driven by strongly anharmonic local potentials around the K atoms exhibiting a double-well structure in the direction of maximum displacement, which is also the direction of local diffusion. On the other hand, vibration at a range of frequencies is a consequence of the strong anisotropy in the local potentials around the K atoms as revealed by directional magnitude spectra. We present evidence to show that it is the smaller size rather than the smaller mass of the K rattler which leads to the unusual dynamics. Finally, we suggest that the occurrence of local diffusion and vibration at a range of frequencies in the dynamics of a single rattler, as found here for the K atoms, may open new possibilities for phonon engineering in thermoelectric materials. (paper)

Study on the mechanism of using IR illumination to improve the carrier transport performance of CdZnTe detector

Science.gov (United States)

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.

HTLV-I carrier with unusual brain MR imaging findings

Energy Technology Data Exchange (ETDEWEB)

Yata, Shinsaku; Ogawa, Toshihide; Sugihara, Shuji; Matsusue, Eiji; Fujii, Shinya; Kinoshita, Toshibumi [Tottori University, Department of Pathophysiological and Therapeutic Science, Yonago (Japan); Faculty of Medicine, Tottori University, Yonago (Japan)

2004-09-01

We describe unusual brain MR imaging findings in a patient who is an HTLV-I carrier without myelopathy. T2-weighted MR images showed hyperintense signal abnormalities in the pyramidal tract, superior and middle cerebellar peduncles, and decussation of the superior cerebellar peduncles, in addition to subcortical white matter involvement. Diffusion-weighted images also showed hyperintense signal abnormalities in the same regions by T2 shine-through effect. (orig.)

Vancomycin graft composite for infected bone defects

International Nuclear Information System (INIS)

Winkler, H.; Janata, O.; Georgopoulos, A.

1999-01-01

Reconstructive surgery under septic conditions represents a major challenge in orthopaedics. Local application of antibiotics can provide high drug levels at the site of infection without systemic effects. However, removal of non-resorbable implants and filling of defects usually requires additional operative procedures. An ideal antibiotic carrier should provide for : 1) Effective bactericidal activity, especially against staphylococci including MRSA; 2) High and long lasting levels at the site of infection without local or systemic toxicity; 3) Repair of defects without a second stage procedure. Allogeneic cancellous bone is proven to be effective in restoration of bone stock. Vancomycin is effective against all gram-positive populations and the agent of choice for infections with MRSA. The aim of our study is to investigate the efficacy of a combination of both components in bone infection. Cancellous bone of human origin was processed during several steps and incubated in 10% vancomycin solution. The antimicrobial activity of the vancomycin graft composite (VGC) was evaluated using an agar diffusion bioassay against staphylococcus aureus and high performance liquid chromatography (HPLC). The testing period was up to 9 weeks. Elution of vancomycin from the graft was evaluated in 2.5% human albumin solution, which was exchanged every 24 hours. Concentration of vancomycin in allograft-bone was between 6.653[tg/g and 23.194gg/g with an average of 15.250 [tg/g, which is equivalent to 10.000 times the minimum inhibitory concentration (MIC) for s. aureus. The initial activity decreased to approx. 50% during the first week and approx. 30% at the end of the 9th week. The lowest values measured exceeded the MIC by 2000 times. Concentration in surrounding fluid decreased from 24.395,80 to 18,43pg/ml after 11 complete exchanges. Human cancellous bone, processed in an adequate way, offers capability to store high quantities of vancomycin. Vancomycin graft composites are

Hydrogen isotope in erbium oxide: Adsorption, penetration, diffusion, and vacancy trapping

International Nuclear Information System (INIS)

Mao, Wei; Chikada, Takumi; Suzuki, Akihiro; Terai, Takayuki; Matsuzaki, Hiroyuki

2015-01-01

Highlights: • H adsorption on cubic Er 2 O 3 surface results in electron transfer from H to the surface. • The H penetration energy of at least 1.6 eV is required for cubic Er 2 O 3 surface. • The dominated mechanisms of H diffusion in bulk Er 2 O 3 are elucidated. • H diffusion near or at vacancies in Er 2 O 3 is an exothermic reaction. - Abstract: In this study, we report results using first-principles density functional theory calculations for four critical aspects of the interaction: H adsorption on Er 2 O 3 surface, surface-to-subsurface penetration of H into Er 2 O 3 , bulk diffusion of H in Er 2 O 3 , and trapping of H at vacancies. We identify surface stable adsorption positions and find that H prefers to transfer electrons to the surfaces and form covalent bonds with the nearest neighboring four oxygen atoms. For low surface coverage of H as in our case (0.89 × 10 14 H/cm 2 ), a penetration energy of at least 1.60 eV is required for cubic Er 2 O 3 surfaces. Further, the H diffusion barrier between the planes defined by Er 2 O 3 units along the favorable <1 1 1> direction is found to be very small – 0.16 eV – whereas higher barriers of 0.41 eV and 1.64 eV are required for diffusion across the planes, somewhat higher than the diffusion energy barrier of 0.20 eV observed experimentally at 873 K. In addition, we predict that interstitial H is exothermically trapped when it approaches a vacancy with the vacancy defect behaving as an electron trap since the H-vacancy defect is found to be more stable than the intrinsic defect

Self-diffusion of protons in H{sub 2}O ice VII at high pressures: Anomaly around 10 GPa

Energy Technology Data Exchange (ETDEWEB)

Noguchi, Naoki, E-mail: noguchi-n@okayama-u.ac.jp; Okuchi, Takuo [Institute for Planetary Materials, Okayama University, Misasa, Tottori 682-0193 (Japan)

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 is 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.

Defect-induced ferromagnetism in semiconductors: A controllable approach by particle irradiation

International Nuclear Information System (INIS)

Zhou, Shengqiang

2014-01-01

Making semiconductors ferromagnetic has been a long dream. One approach is to dope semiconductors with transition metals (TM). TM ions act as local moments and they couple with free carriers to develop collective magnetism. However, there are no fundamental reasons against the possibility of local moment formation from localized sp states. Recently, ferromagnetism was observed in nonmagnetically doped, but defective semiconductors or insulators including ZnO and TiO 2 . This kind of observation challenges the conventional understanding of ferromagnetism. Often the defect-induced ferromagnetism has been observed in samples prepared under non-optimized condition, i.e. by accident or by mistake. Therefore, in this field theory goes much ahead of experimental investigation. To understand the mechanism of the defect-induced ferromagnetism, one needs a better controlled method to create defects in the crystalline materials. As a nonequilibrium and reproducible approach of inducing defects, ion irradiation provides such a possibility. Energetic ions displace atoms from their equilibrium lattice sites, thus creating mainly vacancies, interstitials or antisites. The amount and the distribution of defects can be controlled by the ion fluence and energy. By ion irradiation, we have generated defect-induced ferromagnetism in ZnO, TiO 2 and SiC. In this short review, we also summarize some results by other groups using energetic ions to introduce defects, and thereby magnetism in various materials. Ion irradiation combined with proper characterizations of defects could allow us to clarify the local magnetic moments and the coupling mechanism in defective semiconductors. Otherwise we may have to build a new paradigm to understand the defect-induced ferromagnetism

Microscopic study on the carrier distribution in optoelectronic device structures: experiment and modeling

Science.gov (United States)

Huang, Wenchao; Xia, Hui; Wang, Shaowei; Deng, Honghai; Wei, Peng; Li, Lu; Liu, Fengqi; Li, Zhifeng; Li, Tianxin

2011-12-01

Scanning capacitance microscopy (SCM) and scanning spreading resistance microscopy (SSRM) both are capable of mapping the 2-demensional carrier distribution in semiconductor device structures, which is essential in determining their electrical and optoelectronic performances. In this work, cross-sectional SCM1,2 is used to study the InGaAs/InP P-i-N junctions prepared by area-selective p-type diffusion. The diffusion lengths in the depth as well as the lateral directions are obtained for junctions under different window sizes in mask, which imply that narrow windows may result in shallow p-n junctions. The analysis is beneficial to design and fabricate focal plane array of near infrared photodetectors with high duty-cycle and quantum efficiency. On the other hand, SSRM provides unparalleled spatial resolution (demanded for studying low-dimensional structures. However, to derive the carrier density from the measured local conductance in individual quantum structures, reliable model for SSRM is necessary but still not well established. Based on the carrier concentration related transport mechanisms, i.e. thermionic emission and thermionic field emission4,5, we developed a numerical model for the tip-sample Schottky contact4. The calculation is confronted with SSRM study on the dose-calibrated quantum wells (QWs).

Trace diffusion of different nuclear reactions products in polycrystalline tantalum

International Nuclear Information System (INIS)

Beyer, G.J.; Fromm, W.D.; Novgorodov, A.F.

1976-07-01

Measurements of the lattice diffusion coefficients for carrier free isotopes of Hf, Lu, Yb, Tm, Tb, Gd, Eu, Ba, Cs, Y, Sr, Rb and As in polycrystalline tantalum were made over the temperature range 1700 Fsub(As)>Fsub(lanthanides)>Fsub(Sr)>Fsub(Ba)>Fsub(Hf)>Fsub(Rb)>Fsub(Cs). The data indicate, that the Arrhenius relation was obeyed over the entire temperature range. Within the lanthanide-group no differences in the diffusion velocities could be detected, this fact points to a diffusion mechanism of Me 3+ -ions of lanthanides, Me 2+ -ions of earth alkaline elements and Me + -ions of alkaline elements. (author)

Defects related room temperature ferromagnetism in Cu-implanted ZnO nanorod arrays

International Nuclear Information System (INIS)

Li, D.; Li, D.K.; Wu, H.Z.; Liang, F.; Xie, W.; Zou, C.W.; Shao, L.X.

2014-01-01

Highlights: • Room temperature ferromagnetism was observed in Cu-implanted ZnO nanorod arrays. • Cu-implanted ZnO nanorods show a saturation magnetization value of 1.82 μ B /Cu. • The origin of ferromagnetism can be explained by the defects related bound magnetic polarons. -- Abstract: Room temperature ferromagnetism (FM) was observed in Cu-implanted ZnO nanorod arrays. The implantation dose for Cu ions was 1 × 10 16 cm −2 and the implantation energy was 100 keV. The ion implantation induced defects and disorder has been observed by the XRD, PL and TEM experiments. The PL spectrum revealed a dominant luminescence peaks at 390 nm and a broad and strong green emission at 500–700 nm, which is considered to be related to the ionized oxygen vacancy. Cu-implanted ZnO nanorods annealed at 500 °C show a saturation magnetization value of 1.82 μ B /Cu and a positive coercive field of 68 Oe. The carrier concentration is not much improved after annealing and in the order of 10 16 cm −3 , which suggests that FM does not depend upon the presence of a significant carrier concentration. The origin of ferromagnetism behavior can be explained on the basis of electrons and defects that form bound magnetic polarons, which overlap to create a spin-split impurity band

Diffusion in a pure, high-vacancy-content crystal

International Nuclear Information System (INIS)

McKee, R.A.

1981-01-01

The idea that vacancies can follow a nonrandom walk in a solid has been developed and put into a quantitative form for diffusion in a pure, high-vacancy-content crystal. Intrinsic and tracer diffusion in a metal have been analyzed, and the electrical mobility in an ionic solid has been expressed in terms of the tracer diffusion coefficient and the separate correlation factors for atoms and vacancies. The description uses classical methods of diffusion theory, and generalized results that account for nonrandom vacancy walk have been shown to reduce to those obtained by Howard and Lidiard in a system where the vacancy moves randomly as an isolated point defect. Experimental data for carbon diffusion in fcc iron have been examined to illustrate an interstitial-vacancy analogy that was used in this analysis, and the general result has been applied specifically to discuss vacancy diffusion in Fe/sub 1-x/S

The relative efficiency of zinc carriers on growth and zinc nutrition of corn

International Nuclear Information System (INIS)

Prasad, B.; Sinha, K.

1981-01-01

A comparison of different zinc carriers showed that application of Zn-DTPA, Zn-EDTA, Zn-fulvate and ZnSO 4 significantly increased the dry matter yield and zinc uptake by corn over the control treatment where no zinc was applied. The chelates in particular enhanced to a greater extent the uptake of both native and applied sources than that observed with ZnSO 4 as the zinc carrier. Both the dry matter yield and zinc uptake by corn showed a positive and significant relationship with self-diffusion coefficient of zinc showing thereby that diffusion contributed mainly the supply of Zn from the ambient soil matrix to plant roots. The effectiveness of the chelates varied depending on their capacity to retain Zn in a soluble form in the soil solution. It is evident that zinc nutrition of plants in alkaline and calcareous soils can be more effectively regulated by both synthetic and natural chelates or organic manures which contain substantial amount of complexed zinc. (orig.)

Positron annihilation in solids: positronium diffusion; Annihilation du positon dans les solides diffusion du positonium

Energy Technology Data Exchange (ETDEWEB)

Paulin, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-04-01

The existence of two slow components in life-time spectrum of positron annihilation in silicium, aluminium and alkaline-earth oxides powders is established. These two long mean-lives {approx_equal} 10{sup -9} s and {approx_equal} 10{sup -7} s result from annihilation, inside and outside the grains respectively, of ortho-positronium formed in defects present in ionic crystals investigated. Dynamic behaviour of Ps, so revealed, is analyzed in terms of diffusion in excellent agreement with experiment. Diffusion constants of the order of 10{sup -4} cm{sup 2} sec{sup -1} and mean path before annihilation from 50 to 300 Angstrom are measured. From 100 to 500 K the temperature influence upon diffusion process is effective only in SiO{sub 2} where activation energy is found about 10{sup -2} eV. The p-Ps zero point energy evaluated by angular correlation gives the order of magnitude for defects dimensions and diffusion mean-time. Finally, o-Ps behaviour in space between grains, where its interaction with atmospheric gases can be only detected, is analysed. (author) [French] Nous mettons en evidence l'existence de deux composantes lentes dans le spectre de temps de vie du positon avant annihilation dans des poudres d'oxydes alcalinoterreux d'alumine et de silice. Ces deux longues vies moyennes {approx_equal} 10{sup -9} s et {approx_equal} 10{sup -7} s resultent respectivement de l'annihilation a l'interieur et a l'exterieur des grains de l'ortho-positonium forme dans certains defauts presents dans les cristaux ioniques etudies. L'analyse des proprietes dynamiques du Ps ainsi revelees, est effectuee en termes de diffusion en excellent accord avec l'experience. Des constantes de diffusion de l'ordre de 10{sup -4} cm{sup 2} sec{sup -1} et des parcours moyens avant annihilation variant de 50 a 300 Angstrom sont ainsi mesures. Entre 100 et 500 K l'influence de la temperature sur le processus de diffusion n'est sensible que dans SiO{sub 2} ou l'energie d'activation est trouvee

Point defects and transport properties in carbides

International Nuclear Information System (INIS)

Matzke, Hj.

1984-01-01

Carbides of transition metals and of actinides are interesting and technologically important. The transition-metal carbides (or carbonitrides) are extensively being used as hard materials and some of them are of great interest because of the high transition temperature for superconductivity, e.g. 17 K for Nb(C,N). Actinide carbides and carbonitrides, (U,Pu)C and (U,Pu)(C,N) are being considered as promising advanced fuels for liquid metal cooled fast breeder nuclear reactors. Basic interest exists in all these materials because of their high melting points (e.g. 4250 K for TaC) and the unusually broad range of homogeneity of nonstoichiometric compositions (e.g. from UCsub(0.9) to UCsub(1.9) at 2500 K). Interaction of point defects to clusters and short-range ordering have recently been studied with elastic neutron diffraction and diffuse scattering techniques, and calculations of energies of formation and interaction of point defects became available for selected carbides. Diffusion measurements also exist for a number of carbides, in particular for the actinide carbides. The existing knowledge is discussed and summarized with emphasis on informative examples of particular technological relevance. (Auth.)

Point Defects in Two-Dimensional Layered Semiconductors: Physics and Its Applications

Science.gov (United States)

Suh, Joonki

Recent advances in material science and semiconductor processing have been achieved largely based on in-depth understanding, efficient management and advanced application of point defects in host semiconductors, thus finding the relevant techniques such as doping and defect engineering as a traditional scientific and technological solution. Meanwhile, two- dimensional (2D) layered semiconductors currently draw tremendous attentions due to industrial needs and their rich physics at the nanoscale; as we approach the end of critical device dimensions in silicon-based technology, ultra-thin semiconductors have the potential as next- generation channel materials, and new physics also emerges at such reduced dimensions where confinement of electrons, phonons, and other quasi-particles is significant. It is therefore rewarding and interesting to understand and redefine the impact of lattice defects by investigating their interactions with energy/charge carriers of the host matter. Potentially, the established understanding will provide unprecedented opportunities for realizing new functionalities and enhancing the performance of energy harvesting and optoelectronic devices. In this thesis, multiple novel 2D layered semiconductors, such as bismuth and transition- metal chalcogenides, are explored. Following an introduction of conventional effects induced by point defects in semiconductors, the related physics of electronically active amphoteric defects is revisited in greater details. This can elucidate the complication of a two-dimensional electron gas coexisting with the topological states on the surface of bismuth chalcogenides, recently suggested as topological insulators. Therefore, native point defects are still one of the keys to understand and exploit topological insulators. In addition to from a fundamental science point of view, the effects of point defects on the integrated thermal-electrical transport, as well as the entropy-transporting process in

Measurement of oxygen chemical diffusion in PuO2-x and analysis of oxygen diffusion in PuO2-x and (Pu,U)O2-x

International Nuclear Information System (INIS)

Kato, Masato; Uchida, Teppei; Sunaoshi, Takeo

2013-01-01

Oxygen chemical diffusion in PuO 2-x was investigated in the temperature range of 1473-1873 K by thermogravimetry as functions of oxygen-to-metal (O/M) ratios and temperatures. The oxygen chemical diffusion coefficients, D were determined assuming that the reduction curves were dominated by a diffusion process. The O/M ratio and Pu content dependence on the chemical diffusion coefficients were evaluated. The chemical diffusion coefficient had its minimum value at around O/M=1.98 and decreased with increasing Pu content in (U,Pu)O 2-x . The self-diffusion coefficients were evaluated. A model for describing the relationship among O/M ratio, oxygen chemical diffusion, and self-diffusion was proposed based on defect chemistry. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Diameter Dependence of Planar Defects in InP Nanowires.

Science.gov (United States)

Wang, Fengyun; Wang, Chao; Wang, Yiqian; Zhang, Minghuan; Han, Zhenlian; Yip, SenPo; Shen, Lifan; Han, Ning; Pun, Edwin Y B; Ho, Johnny C

2016-09-12

In this work, extensive characterization and complementary theoretical analysis have been carried out on Au-catalyzed InP nanowires in order to understand the planar defect formation as a function of nanowire diameter. From the detailed transmission electron microscopic measurements, the density of stacking faults and twin defects are found to monotonically decrease as the nanowire diameter is decreased to 10 nm, and the chemical analysis clearly indicates the drastic impact of In catalytic supersaturation in Au nanoparticles on the minimized planar defect formation in miniaturized nanowires. Specifically, during the chemical vapor deposition of InP nanowires, a significant amount of planar defects is created when the catalyst seed sizes are increased with the lower degree of In supersaturation as dictated by the Gibbs-Thomson effect, and an insufficient In diffusion (or Au-rich enhancement) would lead to a reduced and non-uniform In precipitation at the NW growing interface. The results presented here provide an insight into the fabrication of "bottom-up" InP NWs with minimized defect concentration which are suitable for various device applications.

Fission product release from defected nuclear reactor fuel elements

International Nuclear Information System (INIS)

Lewis, B.J.

1983-01-01

The release of gaseous (krypton and xenon) and iodine radioactive fission products from defective fuel elements is described with a semi-empirical model. The model assumes precursor-corrected 'Booth diffusional release' in the UO 2 and subsequent holdup in the fuel-to-sheath gap. Transport in the gap is separately modelled with a phenomenological rate constant (assuming release from the gap is a first order rate process), and a diffusivity constant (assuming transport in the gap is dominated by a diffusional process). Measured release data from possessing various states of defection are use in this analysis. One element (irradiated in an earlier experiment by MacDonald) was defected with a small drilled hole. A second element was machined with 23 slits while a third element (fabricated with a porous end plug) displayed through-wall sheath hydriding. Comparison of measured release data with calculated values from the model yields estimates of empirical diffusion coefficients for the radioactive species in the UO 2 (1.56 x 10 -10 to 7.30 x 10 -9 s -1 ), as well as escape rate constants (7.85 x 10 -7 to 3.44 x 10 -5 s -1 ) and diffusion coefficients (3.39 x 10 -5 to 4.88 x 10 -2 cm 2 /s) for these in the fuel-to-sheath gap. Analyses also enable identification of the various rate-controlling processes operative in each element. For the noble gas and iodine species, the rate-determining process in the multi-slit element is 'Booth diffusion'; however, for the hydrided element an additional delay results from diffusional transport in the fuel-to-heath gap. Furthermore, the iodine species exhibit an additional holdup in the drilled element because of significant trapping on the fuel and/or sheath surfaces. Using experimental release data and applying the theoretical results of this work, a systematic procedure is proposed to characterize fuel failures in commercial power reactors (i.e., the number of fuel failures and average leak size)

The role of defects in fluorescent silicon carbide layers grown by sublimation epitaxy

DEFF Research Database (Denmark)

Schimmel, Saskia; Kaiser, Michl; Jokubavicius, Valdas

Donor-acceptor co-doped silicon carbide layers are promising light converters for novel monolithic all-semiconductor LEDs due to their broad-band donor-acceptor pair luminescence and potentially high internal quantum efficiency. Besides appropriate doping concentrations yielding low radiative...... lifetimes, high nonradiative lifetimes are crucial for efficient light conversion. Despite the excellent crystalline quality that can generally be obtained by sublimation epitaxy according to XRD measurements, the role of defects in f-SiC is not yet well understood. Recent results from room temperature...... photoluminescence, charge carrier lifetime measurements by microwave detected photoconductivity and internal quantum efficiency measurements suggest that the internal quantum efficiency of f-SiC layers is significantly affected by the incorporation of defects during epitaxy. Defect formation seems to be related...

Physiologic abnormalities of cardiac function in progressive systemic sclerosis with diffuse scleroderma

International Nuclear Information System (INIS)

Follansbee, W.P.; Curtiss, E.I.; Medsger, T.A. Jr.; Steen, V.D.; Uretsky, B.F.; Owens, G.R.; Rodnan, G.P.

1984-01-01

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 thallium 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

Effects of carbon on phosphorus diffusion in SiGe:C and the implications on phosphorus diffusion mechanisms

International Nuclear Information System (INIS)

Lin, Yiheng; Xia, Guangrui; Yasuda, Hiroshi; Wise, Rick; Schiekofer, Manfred; Benna, Bernhard

2014-01-01

The use of carbon (C) in SiGe base layers is an important approach to control the base layer dopant phosphorus (P) diffusion and thus enhance PNP heterojunction bipolar transistor (HBT) performance. This work quantitatively investigated the carbon impacts on P diffusion in Si 0.82 Ge 0.18 :C and Si:C under rapid thermal anneal conditions. The carbon molar fraction is up to 0.32%. The results showed that the carbon retardation effect on P diffusion is less effective for Si 0.82 Ge 0.18 :C than for Si:C. In Si 0.82 Ge 0.18 :C, there is an optimum carbon content at around 0.05% to 0.1%, beyond which more carbon incorporation does not retard P diffusion any more. This behavior is different from the P diffusion behavior in Si:C and the B in Si:C and low Ge SiGe:C, which can be explained by the decreased interstitial-mediated diffusion fraction f I P, SiGe to 95% as Ge content increases to 18%. Empirical models were established to calculate the time-averaged point defect concentrations and effective diffusivities as a function of carbon and was shown to agree with previous studies on boron, phosphorus, arsenic and antimony diffusion with carbon.

Contribution to the study of the mechanisms of phosphorus diffusion in silicon

International Nuclear Information System (INIS)

Chambert, Gerald

1973-01-01

In this work we present a study of diffusion of phosphorus in silicon. We have been interested chiefly in profiles of concentration. In a first part, the experimental one, diffusions are carried out, and the profiles of impurities and defects are characterized. The methods of characterization are respectively: the nuclear reaction for impurities and the electronic microscopy for defects. In a second part, the theoretical one, a numerical program which can solve diffusion equations with variable coefficients, is used to simulate different theoretical models. We consider three types of theoretical models: a model with generation of vacancies; we take into account the lifetime of vacancies and watch the influence of this parameter; a model based on the experimental results of microscopy: two ways of generation of vacancies are given: the climbing of the dislocation network and the insertion of new atomic plans; a model with the diffusion of two species. The profiles obtained by the simulation are compared with the experimental ones. The last two models explain the kink which is characteristic of the phosphorus diffusion. However these models are, for the moment, qualitative. Another work will have to precise the choice between these models. (author) [fr

Contribution to the theoretical study of the thermal diffusion of point defects in metals; Contribution a l'etude theorique et experimentale de la thermodiffusion de defauts ponctuels dans les metaux

Energy Technology Data Exchange (ETDEWEB)

Gerl, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1968-01-01

An experimental study of diffusion under a thermal gradient shows that the heat of transport Q-bar* for self-diffusion in the noble metals is very low (a few hundredths of I eV) and relatively large in Fe{alpha} (+ 1,7 {+-} 0,8 eV). The apparent heat of transport of Sb in Cu, measured by the 'thin layer technique' is -0.21 {+-}0,05 eV.The influence of the density of sources and sinks of vacancies on the observed vacancy flux is determined by a calculation involving the thermodynamics of irreversible processes; when the mean distance between sources and sinks is larger than a certain limiting value, the vacancy flux vanishes.The contribution to the heat of transport of electron-defect (q*e) and phonon-defect (q*p) collisions is calculated using a semi-classical approach and by a quantum mechanical method; q*e is related to the resistivity {delta} -{rho}{sub d} and to the thermoelectric power of the defect at its stable position and at its saddle-point. A relation between q*e and the effective valency Z* of the defect allows a determination of {delta}{sub {rho}}{sub d} at the saddle-point. Numerical values of q*e are given for some impurities in noble metals. (author) [French] L'etude experimentale de la diffusion sous gradient de temperature montre que la chaleur de transport d'autodiffusion des metaux nobles est tres faible (quelques centiemes d'eV), alors que celle de Fe{alpha} est relativement elevee (+1,7 {+-} 0,8 eV). La chaleur de transport apparente de Sb dans Cu, mesuree par la technique de la couche mince, est (-0.21 {+-} 0.05 eV). L'influence de la densite de sources et puits de lacunes sur le flux de lacunes observe est determinee en appliquant le formalisme de la thermodynamique des processus irreversibles; si la distance moyenne entre sources et puits excede une certaine valeur limite, le flux de lacunes devient pratiquement nul. La contribution des chocs electrons-defaut (q*e) et phonons-defaut (q*p) a la chaleur de transport,est calcul theoriquement a

Classically exact surface diffusion constants at arbitrary temperature

International Nuclear Information System (INIS)

Voter, A.F.; Cohen, J.M.

1989-01-01

An expression is presented for computing the classical diffusion constant of a point defect (e.g., an adatom) in an infinite lattice of binding sites at arbitrary temperature. The transition state theory diffusion constant is simply multiplied by a dynamical correction factor that is computed from short-time classical trajectories initiated at the site boundaries. The time scale limitations of direct molecular dynamics are thus avoided in the low- and middle-temperature regimes. The expression results from taking the time derivative of the particle mean-square displacement in the lattice-discretized coordinate system. Applications are presented for surface diffusion on fcc(100) and fcc(111) Lennard-Jones crystal faces

Minority Carrier Lifetime and Photoluminescence Studies of Antimony-Based Superlattices

Science.gov (United States)

Hoglund, Linda; Soibel, Alexander; Ting, David Z.; Khoshakhlagh, Arezou; Hill, Cory J.; Gunapala, Sarath D.

2012-01-01

In this paper, we have used the OMR technique to study the minority carrier lifetimes in three InAs/GaSb-photoluminescence (PL) structures with different number of periods in the absorber: 300, 400 and 600 periods respectively. The feasibility of using a visible 643 nm laser source with short penetration depth for lifetime measurements was studied by comparing the achieved results to measurements performed on the same samples with a 1550 nm IR laser source, which penetrates much deeper into the sample. Despite the differences in excitation wavelengths and penetration depths, the results from both measurements were very similar. This indicates that the diffusion length is long enough to facilitate a homogeneous distribution of excess carriers in the material.

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

International Nuclear Information System (INIS)

Follansbee, W.P.; Curtiss, E.I.; Medsger, T.A. Jr.; Owens, G.R.; Steen, V.D.; Rodnan, G.P.

1984-01-01

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 patients 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

Periodontal wound healing/regeneration following the application of rhGDF-5 in a beta-TCP/PLGA carrier in critical-size supra-alveolar periodontal defects in dogs.

Science.gov (United States)

Kwon, David H; Bisch, Frederick C; Herold, Robert W; Pompe, Cornelius; Bastone, Patrizia; Rodriguez, Nancy A; Susin, Cristiano; Wikesjö, Ulf M E

2010-07-01

The objective of this study was to evaluate the effect of a novel recombinant human GDF-5 (rhGDF-5) construct intended for onlay and inlay indications on periodontal wound healing/regeneration. Contralateral, surgically created, critical-size, 6-mm, supra-alveolar periodontal defects in five adult Hound Labrador mongrel dogs received rhGDF-5 coated onto beta-tricalcium phosphate (beta-TCP) particles and immersed in a bioresorbable poly(lactic-co-glycolic acid) (PLGA) composite or the beta-TCP/PLGA carrier alone (control). The rhGDF-5 and control constructs were moulded around the teeth and allowed to set. The gingival flaps were then advanced; flap margins were adapted 3-4 mm coronal to the teeth and sutured. The animals were euthanized at 8 weeks post-surgery when block biopsies were collected for histometric analysis. Healing was generally uneventful. A few sites exhibited minor exposures. Three control sites and one rhGDF-5 site (in separate animals) experienced more extensive wound dehiscencies. The rhGDF-5 and control constructs were easy to apply and exhibited adequate structural integrity to support the mucoperiosteal flaps in this challenging onlay model. Limited residual beta-TCP particles were observed at 8 weeks for both rhGDF-5/beta-TCP/PLGA and beta-TCP/PLGA control sites. The rhGDF-5/beta-TCP/PLGA sites showed significantly greater cementum (2.34 +/- 0.44 versus 1.13 +/- 0.25 mm, p=0.02) and bone (2.92 +/- 0.66 versus 1.21 +/- 0.30 mm, p=0.02) formation compared with the carrier control. Limited ankylosis was observed in four of five rhGDF-5/beta-TCP/PLGA sites but not in control sites. Within the limitations of this study, the results suggest that rhGDF-5 is a promising candidate technology in support of periodontal wound healing/regeneration. Carrier and rhGDF-5 dose optimization are necessary before further advancement of the technology towards clinical evaluation.

Effect of Simvastatin collagen graft on wound healing of defective bone

Energy Technology Data Exchange (ETDEWEB)

Kang, Jun Ho; Kim, Gyu Tae [Department of Oral and Maxillofacial Radiology, School of Dentistry, Kyung Hee University, Seoul (Korea, Republic of); Choi, Yong Suk; Lee, Hyeon Woo; Hwang, Eui Hwan [Institute of Oral Biology, School of Dentistry, Kyung Hee University, Seoul (Korea, Republic of)

2008-09-15

To observe and evaluate the effects of Simvastatin-induced osteogenesis on the wound healing of defective bone. 64 defective bones were created in the parietal bone of 32 New Zealand White rabbits. The defects were grafted with collagen matrix carriers mixed with Simvastatin solution in the experimental group of 16 rabbits and with collagen matrix carriers mixed with water in the controlled group. The rabbits were terminated at an interval of 3, 5, 7, and 9 days, 2, 4, 6, and 8 weeks after the formation of defective bone. The wound healing was evaluated by soft X-ray radiography. The tissues within defective bones were evaluated through the analysis of flow cytometry for the manifestation of Runx2 and Osteocalcin, and observed histopathologically by using H-E stain and Masson's trichrome stain. Results : 1. In the experimental group, flow cytometry revealed more manifestation of Runx2 at 5, 7, and 9 days and Osteocalcin at 2 weeks than in the controlled groups, but there was few difference in comparison with the controlled group. 2. In the experimental group, flow cytometry revealed considerably more cells and erythrocytes at 5, 7, and 9 days in comparison with the controlled group. 3. In the experimental group, soft x-ray radiography revealed the extended formation of trabeculation at 2, 4, 6, and 8 weeks. 4. Histopathological features of the experimental group showed more fibroblasts and newly formed vessels at 5 and 7 days, and the formation of osteoid tissues at 9 days, and the newly formed trabeculations at 4 and 6 weeks. As the induced osteogenesis by Simvastatin, there was few contrast of the manifestation between Runx2 and Osteocalcin based on the differentiation of osteoblasts. But it was considered that the more formation of cells and erythrocytes depending on newly formed vessels in the experimental group obviously had an effect on the bone regeneration.

Expanding the clinical spectrum associated with defects in CNTNAP2 and NRXN1

Directory of Open Access Journals (Sweden)

Ullmann Reinhard

2011-08-01

Full Text Available Abstract Background Heterozygous copy-number and missense variants in CNTNAP2 and NRXN1 have repeatedly been associated with a wide spectrum of neuropsychiatric disorders such as developmental language and autism spectrum disorders, epilepsy and schizophrenia. Recently, homozygous or compound heterozygous defects in either gene were reported as causative for severe intellectual disability. Methods 99 patients with severe intellectual disability and resemblance to Pitt-Hopkins syndrome and/or suspected recessive inheritance were screened for mutations in CNTNAP2 and NRXN1. Molecular karyotyping was performed in 45 patients. In 8 further patients with variable intellectual disability and heterozygous deletions in either CNTNAP2 or NRXN1, the remaining allele was sequenced. Results By molecular karyotyping and mutational screening of CNTNAP2 and NRXN1 in a group of severely intellectually disabled patients we identified a heterozygous deletion in NRXN1 in one patient and heterozygous splice-site, frameshift and stop mutations in CNTNAP2 in four patients, respectively. Neither in these patients nor in eight further patients with heterozygous deletions within NRXN1 or CNTNAP2 we could identify a defect on the second allele. One deletion in NRXN1 and one deletion in CNTNAP2 occurred de novo, in another family the deletion was also identified in the mother who had learning difficulties, and in all other tested families one parent was shown to be healthy carrier of the respective deletion or mutation. Conclusions We report on patients with heterozygous defects in CNTNAP2 or NRXN1 associated with severe intellectual disability, which has only been reported for recessive defects before. These results expand the spectrum of phenotypic severity in patients with heterozygous defects in either gene. The large variability between severely affected patients and mildly affected or asymptomatic carrier parents might suggest the presence of a second hit, not

Vaporization and diffusion studies on the stability of doped lanthanum gallates

Energy Technology Data Exchange (ETDEWEB)

Stanislowski, M.; Singheiser, L.; Hilpert, K. [Research Center Juelich, Institute for Materials and Processes in Energy Systems, IWV-2, 52425 Juelich (Germany); Peck, D.H.; Woo, S.K. [Korea Institute of Energy Research, 71-2 Jang-Dong, Yuseong, 305-343 Daejeon (Korea); Schulz, O.; Martin, M. [RWTH Aachen University, Institute of Physical Chemistry, Landoltweg 2, 52056 Aachen (Germany)

2006-07-15

Vaporization and diffusion determine the stability of doped lanthanum gallates under SOFC operating conditions. Systematic vaporization studies of Ga and other elements were carried out using the vapor transpiration method. It was shown that the Ga vaporization is controlled by diffusion from the bulk to the surface. Diffusion coefficients D{sub Ga} and vaporization coefficients {alpha}{sub Ga} were determined by fitting the measured vaporization data to a vaporization model. Secondary phases formed as a result of the vaporization were detected. The influence of different doping levels of Sr, Mg and Fe on the Ga vaporization was elucidated. Moreover, cation self-diffusion of {sup 139}La, {sup 84}Sr and {sup 25}Mg as well as cation impurity diffusion of {sup 144}Nd, {sup 89}Y and {sup 56}Fe in polycrystalline samples of doped lanthanum gallate were directly determined for the composition La{sub 0.9}Sr{sub 0.1}Ga{sub 0.9}Mg{sub 0.1}O{sub 2.9} as an example, from diffusion profiles determined by SIMS. It was found that diffusion occurs by means of bulk and grain boundaries. The bulk diffusion coefficients are similar for all cations with activation energies which are strongly dependent on temperature. The results are explained by a frozen-in defect structure at low temperatures in the ABO{sub 3} perovskite lattice and by proposing a defect cluster containing cation vacancies in the A and B sublattices, as well as oxygen vacancies. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Measurement of minority carrier lifetime in silicon solar cells using an a. c. light source

Energy Technology Data Exchange (ETDEWEB)

Nagpal, A.; Gupta, R.S.; Srivastava, G.P. (Delhi Univ., New Delhi (India). Dept. of Electronic Sciences); Jain, V.K. (Solid State Physics Lab., Delhi (India)); Chilana, G.S. (Delhi Univ. (India). Dept. of Physics and Astrophysics)

1990-06-01

A simple technique for the measurement of minority carriers lifetimes is proposed. It is based on the modification of the junction structure by the addition of a d.c. bias to the a.c. source. This always keeps the solar cell in the forward biased condition and also keeps it in the operating range. This method provides a direct measurement of minority carriers lifetimes. The lifetime is found to increase from 2.89 {mu}s at 30deg C to 4.55 {mu}s at 120deg C. The lifetime reduces to 1.45 {mu}s at liquid air temperature. Based on these lifetime measurements, the diffusion length of the carriers has also been calculated. (orig.).

Defects in Amorphous Semiconductors: The Case of Amorphous Indium Gallium Zinc Oxide

Science.gov (United States)

de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

2018-05-01

Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a -IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal—metal or oxygen—oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a -IGZO, the most important point defects are metal—metal bonds (or small metal clusters) and peroxides (O - O single bonds). Electrons are captured by metal—metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a -IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive- and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides.

[Enterotoxin genes occurance among S. aureus strains isolated from inpatients and carriers].

Science.gov (United States)

Lawrynowicz-Paciorek, Maja; Kochman, Maria; Piekarska, Katarzyna; Wyrebiak, Agata; Potracka, Ewa; Leniak-Chmiel, Urszula; Magdziak, Agnieszka

2006-01-01

We examined 44 inpatients and 66 carriers Staphylococcus aureus strains, isolated in years 2002-2005, for the presence of 18 enterotoxin genes (se/sel) (by PCR), the ability for A-D enterotoxin production (by SET-RPLA) and antibiotic resistance distribution (by disc diffusion method). se/sel genes were detected in 90,9% of all strains, sea (70,5%) and selk and selq (52,3%) - among inpatients strains and egc (65,2%) - among carriers strains were the most frequently se/sel genes found. Positive results of SET-RPLA were consistent with PCR results. There was no correlation observed between antibiotic resistance and se/sel genes distribution among tested S. aureus strains.

Studies of matrix diffusion in gas phase

International Nuclear Information System (INIS)

Hartikainen, K.; Timonen, J.; Vaeaetaeinen, K.; Pietarila, H.

1994-03-01

The diffusion of solutes from fractures into rock matrix is an important factor in the safety analysis of disposal of radioactive waste. Laboratory measurements are needed to complement field investigations for a reliable determination of the necessary transport parameters. Measurements of diffusion coefficients in tight rock samples are usually time consuming because the diffusion processes are slow. On the other hand it is well known that diffusion coefficients in the gas phase are roughly four orders of magnitude larger than those in the liquid phase. Therefore, for samples whose structures do not change much upon drying, it is possible to estimate the diffusion properties of the liquid phase when the properties of the gas phase are known. Advantages of the gas method are quick and easy measurements. In the measurements nitrogen was used as the carrier gas and helium as the tracer gas, and standard techniques have been used for helium detection. Techniques have been developed for both channel flow and through-diffusion measurements. The breakthrough curves have been measured in every experiment and all measurements have been modelled by using appropriate analytical models. As a result matrix porosities and effective diffusion coefficients in the gas phase have been determined. (12 refs., 21 figs., 6 tabs.)

Hole traps associated with high-concentration residual carriers in p-type GaAsN grown by chemical beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Elleuch, Omar, E-mail: mr.omar.elleuch@gmail.com; Wang, Li; Lee, Kan-Hua; Demizu, Koshiro; Ikeda, Kazuma; Kojima, Nobuaki; Ohshita, Yoshio; Yamaguchi, Masafumi [Toyota Technological Institute, 2-12-1 Hisakata, Tempaku, Nagoya 468-8511 (Japan)

2015-01-28

The hole traps associated with high background doping in p-type GaAsN grown by chemical beam epitaxy are studied based on the changes of carrier concentration, junction capacitance, and hole traps properties due to the annealing. The carrier concentration was increased dramatically with annealing time, based on capacitance–voltage (C–V) measurement. In addition, the temperature dependence of the junction capacitance (C–T) was increased rapidly two times. Such behavior is explained by the thermal ionization of two acceptor states. These acceptors are the main cause of high background doping in the film, since the estimated carrier concentration from C–T results explains the measured carrier concentration at room temperature using C–V method. The acceptor states became shallower after annealing, and hence their structures are thermally unstable. Deep level transient spectroscopy (DLTS) showed that the HC2 hole trap was composed of two signals, labeled HC21 and HC22. These defects correspond to the acceptor levels, as their energy levels obtained from DLTS are similar to those deduced from C–T. The capture cross sections of HC21 and HC22 are larger than those of single acceptors. In addition, their energy levels and capture cross sections change in the same way due to the annealing. This tendency suggests that HC21 and HC22 signals originate from the same defect which acts as a double acceptor.

Hole traps associated with high-concentration residual carriers in p-type GaAsN grown by chemical beam epitaxy

International Nuclear Information System (INIS)

Elleuch, Omar; Wang, Li; Lee, Kan-Hua; Demizu, Koshiro; Ikeda, Kazuma; Kojima, Nobuaki; Ohshita, Yoshio; Yamaguchi, Masafumi

2015-01-01

The hole traps associated with high background doping in p-type GaAsN grown by chemical beam epitaxy are studied based on the changes of carrier concentration, junction capacitance, and hole traps properties due to the annealing. The carrier concentration was increased dramatically with annealing time, based on capacitance–voltage (C–V) measurement. In addition, the temperature dependence of the junction capacitance (C–T) was increased rapidly two times. Such behavior is explained by the thermal ionization of two acceptor states. These acceptors are the main cause of high background doping in the film, since the estimated carrier concentration from C–T results explains the measured carrier concentration at room temperature using C–V method. The acceptor states became shallower after annealing, and hence their structures are thermally unstable. Deep level transient spectroscopy (DLTS) showed that the HC2 hole trap was composed of two signals, labeled HC21 and HC22. These defects correspond to the acceptor levels, as their energy levels obtained from DLTS are similar to those deduced from C–T. The capture cross sections of HC21 and HC22 are larger than those of single acceptors. In addition, their energy levels and capture cross sections change in the same way due to the annealing. This tendency suggests that HC21 and HC22 signals originate from the same defect which acts as a double acceptor

Continuum modelling of silicon diffusion in indium gallium arsenide

Science.gov (United States)

Aldridge, Henry Lee, Jr.

A possible method to overcome the physical limitations experienced by continued transistor scaling and continue improvements in performance and power consumption is integration of III-V semiconductors as alternative channel materials for logic devices. Indium Gallium Arsenide (InGaAs) is such a material from the III-V semiconductor family, which exhibit superior electron mobilities and injection velocities than that of silicon. In order for InGaAs integration to be realized, contact resistances must be minimized through maximizing activation of dopants in this material. Additionally, redistribution of dopants during processing must be clearly understood and ultimately controlled at the nanometer-scale. In this work, the activation and diffusion behavior of silicon, a prominent n-type dopant in InGaAs, has been characterized and subsequently modelled using the Florida Object Oriented Process and Device Simulator (FLOOPS). In contrast to previous reports, silicon exhibits non-negligible diffusion in InGaAs, even for smaller thermal budget rapid thermal anneals (RTAs). Its diffusion is heavily concentration-dependent, with broadening "shoulder-like" profiles when doping levels exceed 1-3x1019cm -3, for both ion-implanted and Molecular Beam Epitaxy (MBE)-grown cases. Likewise a max net-activation value of ˜1.7x1019cm -3 is consistently reached with enough thermal processing, regardless of doping method. In line with experimental results and several ab-initio calculation results, rapid concentration-dependent diffusion of Si in InGaAs and the upper limits of its activation is believed to be governed by cation vacancies that serve as compensating defects in heavily n-type regions of InGaAs. These results are ultimately in line with an amphoteric defect model, where the activation limits of dopants are an intrinsic limitation of the material, rather than governed by individual dopant species or their methods of incorporation. As a result a Fermi level dependent point

Influence of in situ annealing on carrier dynamics in InGaAs/GaAs quantum dots

DEFF Research Database (Denmark)

Xu, Zhangcheng; Zhang, Yating; Hvam, Jørn Märcher

2007-01-01

is improved, and that the carrier tunnelling from the QDs to the barrier or interface defects is negligible. The relief of the strain and the reduction of the piezoelectric field in the annealed QDs further lead to an enhancement of the overlap of electron and hole wavefunctions, which manifests itself...

Majority- and minority-carrier deep level traps in proton-irradiated n+/p-InGaP space solar cells

International Nuclear Information System (INIS)

Dharmarasu, Nethaji; Yamaguchi, Masafumi; Bourgoin, Jacques C.; Takamoto, Tatsuya; Ohshima, Takeshi; Itoh, Hisayoshi; Imaizumi, Mitsuru; Matsuda, Sumio

2002-01-01

We report the properties of observed defects in n + /p-InGaP solar cells created by irradiation of protons of different energies. Three majority (hole) and a minority-carrier traps, labeled respectively as HP1 (E v +0.90±0.05 eV), HP2 (E v +0.73±0.05 eV), H2 (E v +0.55 eV), and EP1 (E c -0.54 eV), were identified using deep level transient spectroscopy. All majority-carrier traps were found to act as recombination centers. While the H2 trap present in the proton-irradiated p-InGaP was found to anneal out by minority-carrier injection, the other traps were not

Fully Ab-Initio Determination of the Thermoelectric Properties of Half-Heusler NiTiSn: Crucial Role of Interstitial Ni Defects.

Science.gov (United States)

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.

Animal Ca2+ release-activated Ca2+ (CRAC channels appear to be homologous to and derived from the ubiquitous cation diffusion facilitators

Directory of Open Access Journals (Sweden)

Tamang Dorjee G

2010-06-01

Full Text Available Abstract Background Antigen stimulation of immune cells triggers Ca2+ entry through Ca2+ release-activated Ca2+ (CRAC channels, promoting an immune response to pathogens. Defects in a CRAC (Orai channel in humans gives rise to the hereditary Severe Combined Immune Deficiency (SCID syndrome. We here report results that define the evolutionary relationship of the CRAC channel proteins of animals, and the ubiquitous Cation Diffusion Facilitator (CDF carrier proteins. Findings CDF antiporters derived from a primordial 2 transmembrane spanner (TMS hairpin structure by intragenic triplication to yield 6 TMS proteins. Four programs (IC/GAP, GGSEARCH, HMMER and SAM were evaluated for identifying sequence similarity and establishing homology using statistical means. Overall, the order of sensitivity (similarity detection was IC/GAP = GGSEARCH > HMMER > SAM, but the use of all four programs was superior to the use of any two or three of them. Members of the CDF family appeared to be homologous to members of the 4 TMS Orai channel proteins. Conclusions CRAC channels derived from CDF carriers by loss of the first two TMSs of the latter. Based on statistical analyses with multiple programs, TMSs 3-6 in CDF carriers are homologous to TMSs 1-4 in CRAC channels, and the former was the precursor of the latter. This is an unusual example of how a functionally and structurally more complex protein may have predated a simpler one.

Achieving high carrier mobility exceeding 70 cm2/Vs in amorphous zinc tin oxide thin-film transistors

Science.gov (United States)

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.

Strong Ligand-Protein Interactions Derived from Diffuse Ligand Interactions with Loose Binding Sites.

Science.gov (United States)

Marsh, Lorraine

2015-01-01

Many systems in biology rely on binding of ligands to target proteins in a single high-affinity conformation with a favorable ΔG. Alternatively, interactions of ligands with protein regions that allow diffuse binding, distributed over multiple sites and conformations, can exhibit favorable ΔG because of their higher entropy. Diffuse binding may be biologically important for multidrug transporters and carrier proteins. A fine-grained computational method for numerical integration of total binding ΔG arising from diffuse regional interaction of a ligand in multiple conformations using a Markov Chain Monte Carlo (MCMC) approach is presented. This method yields a metric that quantifies the influence on overall ligand affinity of ligand binding to multiple, distinct sites within a protein binding region. This metric is essentially a measure of dispersion in equilibrium ligand binding and depends on both the number of potential sites of interaction and the distribution of their individual predicted affinities. Analysis of test cases indicates that, for some ligand/protein pairs involving transporters and carrier proteins, diffuse binding contributes greatly to total affinity, whereas in other cases the influence is modest. This approach may be useful for studying situations where "nonspecific" interactions contribute to biological function.

Oxygen-related 1-platinum defects in silicon: An electron paramagnetic resonance study

Science.gov (United States)

Juda, U.; Scheerer, O.; Höhne, M.; Riemann, H.; Schilling, H.-J.; Donecker, J.; Gerhardt, A.

1996-09-01

A monoclinic 1-platinum defect recently detected was investigated more thoroughly by electron paramagnetic resonance (EPR). The defect is one of the dominating defects in platinum doped silicon. With a perfect reproducibility it is observed in samples prepared from n-type silicon as well as from p-type silicon, in float zone (FZ) silicon as well as in Czochralski (Cz) silicon. Its concentration varies with the conditions of preparation and nearly reaches that of isolated substitutional platinum in Cz silicon annealed for 2 h at 540 °C after quenching from the temperature of platinum diffusion. Because of its concentration which in Cz-Si exceeds that in FZ-Si the defect is assumed to be oxygen-related though a hyperfine structure with 17O could not be resolved. The defect causes a level close to the valence band. This is concluded from variations of the Fermi level and from a discussion of the spin Hamiltonian parameters. In photo-EPR experiments the defect is coupled to recently detected acceptorlike self-interstitial related defects (SIRDs); their level position turns out to be near-midgap. These defects belong to the lifetime limiting defects in Pt-doped Si.

Creep effects in diffusion bonding of oxygen-free copper

CERN Document Server

Moilanen, Antti

Diffusion is the transport of atoms or particles through the surrounding material. Various microstructural changes in metals are based on the diffusion phenomena. In solid metals the diffusion is closely related to crystallographic defects. In single-component metals the dominant mechanism of diffusion is the vacancy mechanism. Diffusion bonding is a direct technological application of diffusion. It is an advanced solidstate joining process in which the surfaces of two components are brought to contact with each other and heated under a pressing load in a controlled environment. During the process, the contact surfaces are bonded by atomic diffusion across the interface and as a result, one solid piece is formed. The condition of high temperature and low applied stress combined with relatively long process duration enables the creep effects to take place in bonded metals. Furthermore, creep causes unwanted permanent deformations in the bonded components. Some authors suggest that there could be a threshold fo...

Exciton delocalization incorporated drift-diffusion model for bulk-heterojunction organic solar cells

Science.gov (United States)

Wang, Zi Shuai; Sha, Wei E. I.; Choy, Wallace C. H.

2016-12-01

Modeling the charge-generation process is highly important to understand device physics and optimize power conversion efficiency of bulk-heterojunction organic solar cells (OSCs). Free carriers are generated by both ultrafast exciton delocalization and slow exciton diffusion and dissociation at the heterojunction interface. In this work, we developed a systematic numerical simulation to describe the charge-generation process by a modified drift-diffusion model. The transport, recombination, and collection of free carriers are incorporated to fully capture the device response. The theoretical results match well with the state-of-the-art high-performance organic solar cells. It is demonstrated that the increase of exciton delocalization ratio reduces the energy loss in the exciton diffusion-dissociation process, and thus, significantly improves the device efficiency, especially for the short-circuit current. By changing the exciton delocalization ratio, OSC performances are comprehensively investigated under the conditions of short-circuit and open-circuit. Particularly, bulk recombination dependent fill factor saturation is unveiled and understood. As a fundamental electrical analysis of the delocalization mechanism, our work is important to understand and optimize the high-performance OSCs.

Effect of hydrogen on change carrier dissipation in 60Co irradiated by γ-quanta and non-alloyed n-type GaAs

International Nuclear Information System (INIS)

Korshunov, F.P.; Kurilovich, N.F.; Prokhorenko, T.A.; Shesholko, V.K.; Bumaj, Yu.A.

2001-01-01

The pretreatment in hydrogen plasma (the hydrogenation) influences on the charge carrier dissipation processes in the non-alloyed gallium arsenide of n-type with no = (5...7) centre dot 10 15 cm -3 and μo = (5...6) centre dot 10 13 cm 2 / (V centre dot c) irradiated by γ-quantum 60 Co was studied. The comparison of experimental dependence μ (T) with the designed one in the temperature range 77...291 K for non-hydrogenized and hydrogenized non irradiated and γ-quantum irradiated crystals was carried out. It is shown that the main dissipative mechanism that determine the charged carrier mobility in the non hydrogenized material is the dissipation on the charged centers - the radiation defects in the γ-quantum irradiated GaAs; the presence of double ionized defects is possible

Diffuse neutron scattering from anion-excess strontium chloride

DEFF Research Database (Denmark)

Goff, J.P.; Clausen, K.N.; Fåk, B.

1992-01-01

The defect structure and diffusional processes have been studied in the anion-excess fluorite (Sr, Y)Cl2.03 by diffuse neutron scattering techniques. Static cuboctahedral clusters found at ambient temperature break up at temperatures below 1050 K, where the anion disorder is highly dynamic. The a...

Diffusion of hydrous species in model basaltic melt

Science.gov (United States)

Zhang, Li; Guo, Xuan; Wang, Qinxia; Ding, Jiale; Ni, Huaiwei

2017-10-01

Water diffusion in Fe-free model basaltic melt with up to 2 wt% H2O was investigated at 1658-1846 K and 1 GPa in piston-cylinder apparatus using both hydration and diffusion couple techniques. Diffusion profiles measured by FTIR are consistent with a model in which both molecular H2O (H2Om) and hydroxyl (OH) contribute to water diffusion. OH diffusivity is roughly 13% of H2Om diffusivity, showing little dependence on temperature or water concentration. Water diffusion is dominated by the motion of OH until total H2O (H2Ot) concentration reaches 1 wt%. The dependence of apparent H2Ot diffusivity on H2Ot concentration appears to be overestimated by a previous study on MORB melt, but H2Ot diffusivity at 1 wt% H2Ot in basaltic melt is still greater than those in rhyolitic to andesitic melts. The appreciable contribution of OH to water diffusion in basaltic melt can be explained by enhanced mobility of OH, probably associated with the development of free hydroxyl bonded with network-modifying cations, as well as higher OH concentration. Calculation based on the Nernst-Einstein equation demonstrates that OH may serve as an effective charge carrier in hydrous basaltic melt, which could partly account for the previously observed strong influence of water on electrical conductivity of basaltic melt.

Contribution to the theoretical study of the thermal diffusion of point defects in metals; Contribution a l'etude theorique et experimentale de la thermodiffusion de defauts ponctuels dans les metaux

Energy Technology Data Exchange (ETDEWEB)

Gerl, M. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1968-01-01

An experimental study of diffusion under a thermal gradient shows that the heat of transport Q-bar* for self-diffusion in the noble metals is very low (a few hundredths of I eV) and relatively large in Fe{alpha} (+ 1,7 {+-} 0,8 eV). The apparent heat of transport of Sb in Cu, measured by the 'thin layer technique' is -0.21 {+-}0,05 eV.The influence of the density of sources and sinks of vacancies on the observed vacancy flux is determined by a calculation involving the thermodynamics of irreversible processes; when the mean distance between sources and sinks is larger than a certain limiting value, the vacancy flux vanishes.The contribution to the heat of transport of electron-defect (q*e) and phonon-defect (q*p) collisions is calculated using a semi-classical approach and by a quantum mechanical method; q*e is related to the resistivity {delta} -{rho}{sub d} and to the thermoelectric power of the defect at its stable position and at its saddle-point. A relation between q*e and the effective valency Z* of the defect allows a determination of {delta}{sub {rho}}{sub d} at the saddle-point. Numerical values of q*e are given for some impurities in noble metals. (author) [French] L'etude experimentale de la diffusion sous gradient de temperature montre que la chaleur de transport d'autodiffusion des metaux nobles est tres faible (quelques centiemes d'eV), alors que celle de Fe{alpha} est relativement elevee (+1,7 {+-} 0,8 eV). La chaleur de transport apparente de Sb dans Cu, mesuree par la technique de la couche mince, est (-0.21 {+-} 0.05 eV). L'influence de la densite de sources et puits de lacunes sur le flux de lacunes observe est determinee en appliquant le formalisme de la thermodynamique des processus irreversibles; si la distance moyenne entre sources et puits excede une certaine valeur limite, le flux de lacunes devient pratiquement nul. La contribution des chocs electrons-defaut (q*e) et phonons-defaut (q*p) a la chaleur de

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