Role of hydrogen in volatile behaviour of defects in SiO2-based electronic devices

NASA Astrophysics Data System (ADS)

Wimmer, Yannick; El-Sayed, Al-Moatasem; Gös, Wolfgang; Grasser, Tibor; Shluger, Alexander L.

2016-06-01

Charge capture and emission by point defects in gate oxides of metal-oxide-semiconductor field-effect transistors (MOSFETs) strongly affect reliability and performance of electronic devices. Recent advances in experimental techniques used for probing defect properties have led to new insights into their characteristics. In particular, these experimental data show a repeated dis- and reappearance (the so-called volatility) of the defect-related signals. We use multiscale modelling to explain the charge capture and emission as well as defect volatility in amorphous SiO2 gate dielectrics. We first briefly discuss the recent experimental results and use a multiphonon charge capture model to describe the charge-trapping behaviour of defects in silicon-based MOSFETs. We then link this model to ab initio calculations that investigate the three most promising defect candidates. Statistical distributions of defect characteristics obtained from ab initio calculations in amorphous SiO2 are compared with the experimentally measured statistical properties of charge traps. This allows us to suggest an atomistic mechanism to explain the experimentally observed volatile behaviour of defects. We conclude that the hydroxyl-E' centre is a promising candidate to explain all the observed features, including defect volatility.

Electronic excitations and defects in fluoroperovskite LiBaF3

NASA Astrophysics Data System (ADS)

Springis, Maris; Brikmane, Liga; Tale, Ivar; Kulis, Peteris

2003-08-01

A survey of the present situation with respect to knowledge of lattice defects, electronic excitations, such as excitons and localized excitons, as well as energy storage and transfer phenomena in LiBaF3 crystals is given. Both phenomenological models and experimental interpretations of optical absorption bands, tentatively associated with F-type (electron) centers created by X-ray or electron irradiation, is reviewed. Interpretation of three radiative processes (super-fast core-valence transitions, slow trapped exciton luminescence and luminescence of structure defects) observed in undoped LiBaF3 crystals is analyzed with respect to practical application. Attention is paid to the behavior of ultraviolet emission so far ascribed to self-trapped exciton luminescence and also observed as a result of electron recombination with localized hole at various temperatures (even at room temperature), depending on crystal purity and growth conditions. Finally, some aspects of ionic processes in thermal relaxation of defects are pointed to.

Low defect densities in molecular beam epitaxial GaAs achieved by isoelectronic In doping

NASA Technical Reports Server (NTRS)

Bhattacharya, P. K.; Dhar, S.; Berger, P.; Juang, F.-Y.

1986-01-01

A study has been made of the effects of adding small amounts of In (0.2-1.2 pct) to GaAs grown by molecular beam epitaxy. The density of four electron traps decreases in concentration by an order of magnitude, and the peak intensities of prominent emissions in the excitonic spectra are reduced with increase in In content. Based on the higher surface migration rate of In, compared to Ga, at the growth temperatures it is apparent that the traps and the excitonic transitions are related to point defects. This agrees with earlier observations by Briones and Collins (1982) and Skromme et al. (1985).

Effect of ion velocity on creation of point defects halos of latent tracks in LiF

NASA Astrophysics Data System (ADS)

Volkov, A. E.; Schwartz, K.; Medvedev, N. A.; Trautmann, C.

2017-09-01

Parameters of point defects halos (F-color centers) created due to decays of self-trapped valence holes generated in nanometric vicinities of trajectories of gold ions of 275 MeV and 2187 MeV in LiF are estimated in absorption spectroscopy experiments. Such ions have approximately the same electronic stopping: 24.6 keV/nm and 22.9 keV/nm, respectively. In contrast to the usual concept of the velocity effect that a slower ion produces larger structure changes due to a higher density of the deposited energy, the opposite effect occurs for the defect halo revealing a larger radius and a larger defect concentration for an ion of the higher velocity realizing the same energy loss. Spatial spreading of generated valence holes before their self-trapping (500 fs) forms the size of the defect halos around the trajectories of the applied ions. Simulations with Monte-Carlo code TREKIS show no significant difference in the initial spatial distributions of these valence holes by the times of finishing of ionization cascades (∼10 fs after the projectile passage) within the radii of the defect halos deduced from the experiments. Using these distributions as initial conditions for spatial spreading of generated valence holes and taking into account the difference between the defect halo radii, the diffusion coefficients of these holes near the trajectories of 275 and 2187 MeV Au ions in LiF are estimated showing about six times larger value in tracks of the faster ion for irradiations at room temperatures. Presence of H-color centers changes considerably the kinetics of the created defect ensemble in the defect halo resulting in differences between the defect halo parameters in LiF crystals irradiated at 8 K vs. 300 K.

Optical characterization of wide-gap detector-grade semiconductors

NASA Astrophysics Data System (ADS)

Elshazly, Ezzat S.

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

Study of point- and cluster-defects in radiation-damaged silicon

NASA Astrophysics Data System (ADS)

Donegani, Elena M.; Fretwurst, Eckhart; Garutti, Erika; Klanner, Robert; Lindstroem, Gunnar; Pintilie, Ioana; Radu, Roxana; Schwandt, Joern

2018-08-01

Non-ionising energy loss of radiation produces point defects and defect clusters in silicon, which result in a significant degradation of sensor performance. In this contribution results from TSC (Thermally Stimulated Current) defect spectroscopy for silicon pad diodes irradiated by electrons to fluences of a few 1014 cm-2 and energies between 3.5 and 27 MeV for isochronal annealing between 80 and 280∘C, are presented. A method based on SRH (Shockley-Read-Hall) statistics is introduced, which assumes that the ionisation energy of the defects in a cluster depends on the fraction of occupied traps. The difference of ionisation energy of an isolated point defect and a fully occupied cluster, ΔEa, is extracted from the TSC data. For the VOi (vacancy-oxygen interstitial) defect ΔEa = 0 is found, which confirms that it is a point defect, and validates the method for point defects. For clusters made of deep acceptors the ΔEa values for different defects are determined after annealing at 80∘C as a function of electron energy, and for the irradiation with 15 MeV electrons as a function of annealing temperature. For the irradiation with 3.5 MeV electrons the value ΔEa = 0 is found, whereas for the electron energies of 6-27 MeV ΔEa > 0. This agrees with the expected threshold of about 5 MeV for cluster formation by electrons. The ΔEa values determined as a function of annealing temperature show that the annealing rate is different for different defects. A naive diffusion model is used to estimate the temperature dependencies of the diffusion of the defects in the clusters.

Defect healing at room temperature in pentacene thin films and improved transistor performance

NASA Astrophysics Data System (ADS)

Kalb, Wolfgang L.; Meier, Fabian; Mattenberger, Kurt; Batlogg, Bertram

2007-11-01

We report on a healing of defects at room temperature in the organic semiconductor pentacene. This peculiar effect is a direct consequence of the weak intermolecular interaction which is characteristic of organic semiconductors. Pentacene thin-film transistors were fabricated and characterized by in situ gated four-terminal measurements. Under high vacuum conditions (base pressure of order 10-8mbar ), the device performance is found to improve with time. The effective field-effect mobility increases by as much as a factor of 2 and mobilities up to 0.45cm2/Vs were achieved. In addition, the contact resistance decreases by more than an order of magnitude and there is a significant reduction in current hysteresis. Oxygen and nitrogen exposure as well as annealing experiments show the improvement of the electronic parameters to be driven by a thermally promoted process and not by chemical doping. In order to extract the spectral density of trap states from the transistor characteristics, we have implemented a powerful scheme which allows for a calculation of the trap densities with high accuracy in a straightforward fashion. We show the performance improvement to be due to a reduction in the density of shallow traps ⩽0.15eV from the valence band edge, while the energetically deeper traps are essentially unaffected. This work contributes to an understanding of the shallow traps in organic semiconductors and identifies structural point defects within the grains of the polycrystalline thin films as a major cause.

Deep level transient spectroscopy signatures of majority traps in GaN p-n diodes grown by metal-organic vapor-phase epitaxy technique on GaN substrates

NASA Astrophysics Data System (ADS)

PŁaczek-Popko, E.; Trzmiel, J.; Zielony, E.; Grzanka, S.; Czernecki, R.; Suski, T.

2009-12-01

In this study, we present the results of investigation on p-n GaN diodes by means of deep level transient spectroscopy (DLTS) within the temperature range of 77-350 K. Si-doped GaN layers were grown by metal-organic vapor-phase epitaxy technique (MOVPE) on the free-standing GaN substrates. Subsequently Mg-doped GaN layers were grown. To perform DLTS measurements Ni/Au contacts to p-type material and Ti/Au contacts to n-type material were processed. DLTS signal spectra revealed the presence of two majority traps of activation energies obtained from Arrhenius plots equal to E1=0.22 eV and E2=0.65 eV. In present work we show that the trap E1 is linked with the extended defects whereas the trap E2 is the point defect related. Its capture cross section is thermally activated with energy barrier for capture equal to 0.2 eV.

Point defects at the ice (0001) surface

PubMed Central

Watkins, Matthew; VandeVondele, Joost; Slater, Ben

2010-01-01

Using density functional theory we investigate whether intrinsic defects in ice surface segregate. We predict that hydronium, hydroxide, and the Bjerrum L- and D-defects are all more stable at the surface. However, the energetic cost to create a D-defect at the surface and migrate it into the bulk crystal is smaller than its bulk formation energy. Absolute and relative segregation energies are sensitive to the surface structure of ice, especially the spatial distribution of protons associated with dangling hydrogen bonds. It is found that the basal plane surface of hexagonal ice increases the bulk concentration of Bjerrum defects, strongly favoring D-defects over L-defects. Dangling protons associated with undercoordinated water molecules are preferentially injected into the crystal bulk as Bjerrum D-defects, leading to a surface dipole that attracts hydronium ions. Aside from the disparity in segregation energies for the Bjerrum defects, we find the interactions between defect species to be very finely balanced; surface segregation energies for hydronium and hydroxide species and trapping energies of these ionic species with Bjerrum defects are equal within the accuracy of our calculations. The mobility of the ionic hydronium and hydroxide species is greatly reduced at the surface in comparison to the bulk due to surface sites with high trapping affinities. We suggest that, in pure ice samples, the surface of ice will have an acidic character due to the presence of hydronium ions. This may be important in understanding the reactivity of ice particulates in the upper atmosphere and at the boundary layer. PMID:20615938

Origin of High Electronic Quality in Solar Cell Absorber CH3NH3PbI3

NASA Astrophysics Data System (ADS)

Yin, Wanjian; Shi, Tingting; Wei, Suhua; Yan, Yanfa

Thin-film solar cells based on CH3NH3PbI3 halide perovskites have recently shown remarkable performance. First-principle calculations and molecular dynamic simulations show that the structure of pristine CH3NH3PbI3 is much more disordered than the inorganic archetypal thin-film semiconductor CdTe. However, the structural disorders from thermal fluctuation, point defects and grain boundaries introduce rare deep defect states within the bandgaps; therefore, the material has high electronic quality. We have further shown that this unusually high electronic quality is attributed to the unique electronic structures of halide perovskite: the strong coupling between cation lone-pair Pb s orbitals and anion p orbitals and the large atomic size of constitute cation atoms. We further found that although CH3NH3PbI3 GBs do not introduce a deep gap state, the defect level close to the VBM can still act as a shallow hole trap state. Cl and O can spontaneously segregate into GBs and passivate those defect levels and deactivate the trap state.

The CiCs(SiI)n Defect in Silicon from a Density Functional Theory Perspective.

PubMed

Christopoulos, Stavros-Richard G; Sgourou, Efstratia N; Vovk, Ruslan V; Chroneos, Alexander; Londos, Charalampos A

2018-04-16

Carbon constitutes a significant defect in silicon (Si) as it can interact with intrinsic point defects and affect the operation of devices. In heavily irradiated Si containing carbon the initially produced carbon interstitial-carbon substitutional (C i C s ) defect can associate with self-interstitials (Si I 's) to form, in the course of irradiation, the C i C s (Si I ) defect and further form larger complexes namely, C i C s (Si I ) n defects, by the sequential trapping of self-interstitials defects. In the present study, we use density functional theory to clarify the structure and energetics of the C i C s (Si I ) n defects. We report that the lowest energy C i C s (Si I ) and C i C s (Si I )₂ defects are strongly bound with -2.77 and -5.30 eV, respectively.

Determining oxide trapped charges in Al2O3 insulating films on recessed AlGaN/GaN heterostructures by gate capacitance transients measurements

NASA Astrophysics Data System (ADS)

Fiorenza, Patrick; Greco, Giuseppe; Schilirò, Emanuela; Iucolano, Ferdinando; Lo Nigro, Raffaella; Roccaforte, Fabrizio

2018-05-01

This letter presents time-dependent gate-capacitance transient measurements (C–t) to determine the oxide trapped charges (N ot) in Al2O3 films deposited on recessed AlGaN/GaN heterostructures. The C–t transients acquired at different temperatures under strong accumulation allowed to accurately monitor the gradual electron trapping, while hindering the re-emission by fast traps that may affect conventional C–V hysteresis measurements. Using this method, an increase of N ot from 2 to 6 × 1012 cm‑2 was estimated between 25 and 150 °C. The electron trapping is ruled by an Arrhenius dependence with an activation energy of 0.12 eV which was associated to points defects present in the Al2O3 films.

Thermal equilibrium concentration of intrinsic point defects in heavily doped silicon crystals - Theoretical study of formation energy and formation entropy in area of influence of dopant atoms-

NASA Astrophysics Data System (ADS)

Kobayashi, K.; Yamaoka, S.; Sueoka, K.; Vanhellemont, J.

2017-09-01

It is well known that p-type, neutral and n-type dopants affect the intrinsic point defect (vacancy V and self-interstitial I) behavior in single crystal Si. By the interaction with V and/or I, (1) growing Si crystals become more V- or I-rich, (2) oxygen precipitation is enhanced or retarded, and (3) dopant diffusion is enhanced or retarded, depending on the type and concentration of dopant atoms. Since these interactions affect a wide range of Si properties ranging from as-grown crystal quality to LSI performance, numerical simulations are used to predict and to control the behavior of both dopant atoms and intrinsic point defects. In most cases, the thermal equilibrium concentrations of dopant-point defect pairs are evaluated using the mass action law by taking only the binding energy of closest pair to each other into account. The impacts of dopant atoms on the formation of V and I more distant than 1st neighbor and on the change of formation entropy are usually neglected. In this study, we have evaluated the thermal equilibrium concentrations of intrinsic point defects in heavily doped Si crystals. Density functional theory (DFT) calculations were performed to obtain the formation energy (Ef) of the uncharged V and I at all sites in a 64-atom supercell around a substitutional p-type (B, Ga, In, and Tl), neutral (C, Ge, and Sn) and n-type (P, As, and Sb) dopant atom. The formation (vibration) entropies (Sf) of free I, V and I, V at 1st neighboring site from B, C, Sn, P and As atoms were also calculated with the linear response method. The dependences of the thermal equilibrium concentrations of trapped and total intrinsic point defects (sum of free I or V and I or V trapped with dopant atoms) on the concentrations of B, C, Sn, P and As in Si were obtained. Furthermore, the present evaluations well explain the experimental results of the so-called ;Voronkov criterion; in B and C doped Si, and also the observed dopant dependent void sizes in P and As doped Si crystals. The expressions obtained in the present work are very useful for the numerical simulation of grown-in defect behavior, oxygen precipitation and dopant diffusion in heavily doped Si. DFT calculations also showed that Coulomb interaction reaches approximately 30 Å from p (n)-type dopant atoms to I (V) in Si.

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

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

Du, Mao-Hua

2010-01-01

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

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

NASA Astrophysics Data System (ADS)

Du, Mao-Hua

2010-09-01

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

Defect characterization of proton irradiated GaAs pn-junction diodes with layers of InAs quantum dots

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

Sato, Shin-ichiro, E-mail: sato.shinichiro@jaea.go.jp; Optoelectronics and Radiation Effects Branch, U.S. Naval Research Laboratory, Washington, DC 20375; Schmieder, Kenneth J.

2016-05-14

In order to expand the technology of III-V semiconductor devices with quantum structures to both terrestrial and space use, radiation induced defects as well as native defects generated in the quantum structures should be clarified. Electrically active defects in GaAs p{sup +}n diodes with embedded ten layers of InAs quantum dots (QDs) are investigated using Deep Level Transient Fourier Spectroscopy. Both majority carrier (electron) and minority carrier (hole) traps are characterized. In the devices of this study, GaP layers are embedded in between the QD layers to offset the compressive stress introduced during growth of InAs QDs. Devices are irradiatedmore » with high energy protons for three different fluences at room temperature in order to characterize radiation induced defects. Seven majority electron traps and one minority hole trap are found after proton irradiation. It is shown that four electron traps induced by proton irradiation increase in proportion to the fluence, whereas the EL2 trap, which appears before irradiation, is not affected by irradiation. These defects correspond to electron traps previously identified in GaAs. In addition, a 0.53 eV electron trap and a 0.14 eV hole trap are found in the QD layers before proton irradiation. It is shown that these native traps are also unaffected by irradiation. The nature of the 0.14 eV hole trap is thought to be Ga-vacancies in the GaP strain balancing layers.« less

Studies of Point Defects and Defect Interactions in Metals Using Perturbed Gamma Gamma Angular Correlations

NASA Astrophysics Data System (ADS)

Shropshire, Steven Leslie

Point defects in plastically deformed Au, Pt, and Ni were studied with atomic-scale sensitivity using the perturbed gamma-gamma angular correlations (PAC) technique by monitoring formation and transformation of complexes of vacancy defects with very dilute ^{111}In/ ^{111}Cd solute probes. Three topics were investigated: (1) Production of vacancy defects during plastic deformation of Au was investigated to differentiate models of defect production. Concentrations of mono-, di-, and tri-vacancy species were measured in Au, and the ratio of mono- to di-vacancies was found to be independent of the amount of deformation. Results indicate that point defects are produced in correlated lattice locations, such as in "strings", as a consequence of dislocation interactions and not at random locations. (2) Hydrogen interactions with vacancy-solute complexes were studied in Pt. From thermal detrapping experiments, binding of hydrogen in complexes with mono-, di- and tri-vacancies was determined using a model for hydrogen diffusing in a medium with traps, with enthalpies all measured in the narrow range 0.23-0.28 eV, proving that the binding is insensitive to the precise structure of small vacancy clusters. Nuclear relaxation of the probe in a trivacancy complex in Pt was studied as a function of temperature, from which an activation energy of 0.34 eV was measured. This value is inconsistent with relaxation caused by diffusion or trapping of hydrogen, but explainable by dynamical hopping of the PAC probe atom in a cage of vacancies. (3) By observing transformations between vacancy-solute complexes induced by annihilation reactions, it was demonstrated that interstitials are produced during plastic deformation. The evolution of concentrations of the different vacancy complexes under an interstitial flux was measured and analyzed using a kinetic-rate model, from which interstitial capture cross-sections for the different vacancy complexes and the relative quantities of interstitial species in the flux were determined. Deformation of Au was found to produce only mono- and di-interstitial fluxes in a 1:2 ratio. Cross-sections increased rapidly with the number of vacancies, which is attributed to the amount of relaxation of lattice strains around solute-vacancy complexes.

X-Ray Diffraction and Imaging Study of Imperfections of Crystallized Lysozyme with Coherent X-Rays

NASA Technical Reports Server (NTRS)

Hu, Zheng-Wei; Chu, Y. S.; Lai, B.; Cai, Z.; Thomas, B. R.; Chernov, A. A.

2003-01-01

Phase-sensitive x-ray diffraction imaging and high angular-resolution diffraction combined with phase contrast radiographic imaging are employed to characterize defects and perfection of a uniformly grown tetragonal lysozyme crystal in symmetric Laue case. The fill width at half-maximum (FWHM) of a 4 4 0 rocking curve measured from the original crystal is approximately 16.7 arcseconds, and defects, which include point defects, line defects, and microscopic domains, have been clearly observed in the diffraction images of the crystal. The observed line defects carry distinct dislocation features running approximately along the <110> growth front, and they have been found to originate mostly at a central growth area and occasionally at outer growth regions. Individual point defects trapped at a crystal nucleus are resolved in the images of high sensitivity to defects. Slow dehydration has led to the broadening of the 4 4 0 rocking curve by a factor of approximately 2.4. A significant change of the defect structure and configuration with drying has been revealed, which suggests the dehydration induced migration and evolution of dislocations and lattice rearrangements to reduce overall strain energy. The sufficient details of the observed defects shed light upon perfection, nucleation and growth, and properties of protein crystals.

Investigation of point and extended defects in electron irradiated silicon—Dependence on the particle energy

NASA Astrophysics Data System (ADS)

Radu, R.; Pintilie, I.; Nistor, L. C.; Fretwurst, E.; Lindstroem, G.; Makarenko, L. F.

2015-04-01

This work is focusing on generation, time evolution, and impact on the electrical performance of silicon diodes impaired by radiation induced active defects. n-type silicon diodes had been irradiated with electrons ranging from 1.5 MeV to 27 MeV. It is shown that the formation of small clusters starts already after irradiation with high fluence of 1.5 MeV electrons. An increase of the introduction rates of both point defects and small clusters with increasing energy is seen, showing saturation for electron energies above ˜15 MeV. The changes in the leakage current at low irradiation fluence-values proved to be determined by the change in the configuration of the tri-vacancy (V3). Similar to V3, other cluster related defects are showing bistability indicating that they might be associated with larger vacancy clusters. The change of the space charge density with irradiation and with annealing time after irradiation is fully described by accounting for the radiation induced trapping centers. High resolution electron microscopy investigations correlated with the annealing experiments revealed changes in the spatial structure of the defects. Furthermore, it is shown that while the generation of point defects is well described by the classical Non Ionizing Energy Loss (NIEL), the formation of small defect clusters is better described by the "effective NIEL" using results from molecular dynamics simulations.

Unraveling the formation mechanism of graphitic nitrogen-doping in thermally treated graphene with ammonia

NASA Astrophysics Data System (ADS)

Li, Xiao-Fei; Lian, Ke-Yan; Liu, Lingling; Wu, Yingchao; Qiu, Qi; Jiang, Jun; Deng, Mingsen; Luo, Yi

2016-03-01

Nitrogen-doped graphene (N-graphene) has attractive properties that has been widely studied over the years. However, its possible formation process still remains unclear. Here, we propose a highly feasible formation mechanism of the graphitic-N doing in thermally treated graphene with ammonia by performing ab initio molecular dynamic simulations at experimental conditions. Results show that among the commonly native point defects in graphene, only the single vacancy 5-9 and divacancy 555-777 have the desirable electronic structures to trap N-containing groups and to mediate the subsequent dehydrogenation processes. The local structure of the defective graphene in combining with the thermodynamic and kinetic effect plays a crucial role in dominating the complex atomic rearrangement to form graphitic-N which heals the corresponding defect perfectly. The importance of the symmetry, the localized force field, the interaction of multiple trapped N-containing groups, as well as the catalytic effect of the temporarily formed bridge-N are emphasized, and the predicted doping configuration agrees well with the experimental observation. Hence, the revealed mechanism will be helpful for realizing the targeted synthesis of N-graphene with reduced defects and desired properties.

Gadolinium substitution induced defect restructuring in multiferroic BiFeO3: case study by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Mukherjee, A.; Banerjee, M.; Basu, S.; Nambissan, P. M. G.; Pal, M.

2013-12-01

Positron annihilation spectroscopy (PAS) comprising of the measurements of positron lifetime and coincidence Doppler broadening spectra has been carried out to understand and monitor the evolution of the vacancy-type defects arising from the ionic deficiencies at lattice points of the multiferroic perovskite bismuth ferrite (BiFeO3) doped with 1, 5 and 10 at% gadolinium (Gd3+) ions. Negatively charged defects in the form of Bi3+ monovacancies (V_{Bi}^{3-} ) were present in the undoped nanocrystallites, which strongly trapped positrons. During the successive doping by Gd3+ ions, the positron trapping efficiency decreased while the doped ions combined with the vacancies to form complexes, which became neutral. A fraction of the positrons got annihilated at the crystallite surfaces too, being evident from the very large positron lifetimes obtained and confirming the nano-size-specific characteristics of the samples. Further, the intercrystallite regions provided favourable sites for orthopositronium formation, although in minute concentrations. The dopant ion-complex formation was also depicted clearly by the defect characteristic S-W plot. Also, the large change of electrical resistivity with Gd concentration has been explained nicely by invoking the defect information from the PAS study. The study has demonstrated the usefulness of an excellent method of defect identification in such a novel material system, which is vital information for exploiting them for further technological applications.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Helium bubbles aggravated defects production in self-irradiated copper

NASA Astrophysics Data System (ADS)

Wu, FengChao; Zhu, YinBo; Wu, Qiang; Li, XinZhu; Wang, Pei; Wu, HengAn

2017-12-01

Under the environment of high radiation, materials used in fission and fusion reactors will internally accumulate numerous lattice defects and bubbles. With extensive studies focused on bubble resolution under irradiation, the mutually effects between helium bubbles and displacement cascades in irradiated materials remain unaddressed. Therefore, the defects production and microstructure evolution under self-irradiation events in vicinity of helium bubbles are investigated by preforming large scale molecular dynamics simulations in single-crystal copper. When subjected to displacement cascades, distinguished bubble resolution categories dependent on bubble size are observed. With the existence of bubbles, radiation damage is aggravated with the increasing bubble size, represented as the promotion of point defects and dislocations. The atomic mechanisms of heterogeneous dislocation structures are attributed to different helium-vacancy cluster modes, transforming from the resolved gas trapped with vacancies to the biased absorption of vacancies by the over-pressured bubble. In both cases, helium impedes the recombination of point defects, leading to the accelerated formation of interstitial loops. The results and insight obtained here might contribute to understand the underlying mechanism of transmutant solute on the long-term evolution of irradiated materials.

Density Functional Calculations of Native Defects in CH 3 NH 3 PbI 3 : Effects of Spin–Orbit Coupling and Self-Interaction Error

DOE PAGES

Du, Mao-Hua

2015-04-02

We know that native point defects play an important role in carrier transport properties of CH3NH3PbI3. However, the nature of many important defects remains controversial due partly to the conflicting results reported by recent density functional theory (DFT) calculations. In this Letter, we show that self-interaction error and the neglect of spin–orbit coupling (SOC) in many previous DFT calculations resulted in incorrect positions of valence and conduction band edges, although their difference, which is the band gap, is in good agreement with the experimental value. Moreover, this problem has led to incorrect predictions of defect-level positions. Hybrid density functional calculations,more » which partially correct the self-interaction error and include the SOC, show that, among native point defects (including vacancies, interstitials, and antisites), only the iodine vacancy and its complexes induce deep electron and hole trapping levels inside of the band gap, acting as nonradiative recombination centers.« less

Analysis of Deep and Shallow Traps in Semi-Insulating CdZnTe

DOE PAGES

Kim, Kihyun; Yoon, Yongsu; James, Ralph B.

2018-03-13

Trap levels which are deep or shallow play an important role in the electrical and the optical properties of a semiconductor; thus, a trap level analysis is very important in most semiconductor devices. Deep-level defects in CdZnTe are essential in Fermi level pinning at the middle of the bandgap and are responsible for incomplete charge collection and polarization effects. However, a deep level analysis in semi-insulating CdZnTe (CZT) is very difficult. Theoretical capacitance calculation for a metal/insulator/CZT (MIS) device with deep-level defects exhibits inflection points when the donor/acceptor level crosses the Fermi level in the surface-charge layer (SCL). Three CZTmore » samples with different resistivities, 2 × 10 4 (n-type), 2 × 10 6 (p-type), and 2 × 10 10 (p-type) Ω·cm, were used in fabricating the MIS devices. These devices showed several peaks in their capacitance measurements due to upward/downward band bending that depend on the surface potential. In conclusion, theoretical and experimental capacitance measurements were in agreement, except in the fully compensated case.« less

Analysis of Deep and Shallow Traps in Semi-Insulating CdZnTe

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

Kim, Kihyun; Yoon, Yongsu; James, Ralph B.

Trap levels which are deep or shallow play an important role in the electrical and the optical properties of a semiconductor; thus, a trap level analysis is very important in most semiconductor devices. Deep-level defects in CdZnTe are essential in Fermi level pinning at the middle of the bandgap and are responsible for incomplete charge collection and polarization effects. However, a deep level analysis in semi-insulating CdZnTe (CZT) is very difficult. Theoretical capacitance calculation for a metal/insulator/CZT (MIS) device with deep-level defects exhibits inflection points when the donor/acceptor level crosses the Fermi level in the surface-charge layer (SCL). Three CZTmore » samples with different resistivities, 2 × 10 4 (n-type), 2 × 10 6 (p-type), and 2 × 10 10 (p-type) Ω·cm, were used in fabricating the MIS devices. These devices showed several peaks in their capacitance measurements due to upward/downward band bending that depend on the surface potential. In conclusion, theoretical and experimental capacitance measurements were in agreement, except in the fully compensated case.« less

Interconversion of intrinsic defects in SrTi O3(001 )

NASA Astrophysics Data System (ADS)

Chambers, S. A.; Du, Y.; Zhu, Z.; Wang, J.; Wahila, M. J.; Piper, L. F. J.; Prakash, A.; Yue, J.; Jalan, B.; Spurgeon, S. R.; Kepaptsoglou, D. M.; Ramasse, Q. M.; Sushko, P. V.

2018-06-01

Photoemission features associated with states deep in the band gap of n -SrTi O3(001 ) are found to be ubiquitous in bulk crystals and epitaxial films. These features are present even when there is little signal near the Fermi level. Analysis reveals that these states are deep-level traps associated with defects. The commonly investigated defects—O vacancies, Sr vacancies, and aliovalent impurity cations on the Ti sites—cannot account for these features. Rather, ab initio modeling points to these states resulting from interstitial oxygen and its interaction with donor electrons.

Determination of the electron-capture coefficients and the concentration of free electrons in GaN from time-resolved photoluminescence

PubMed Central

Reshchikov, M. A.; McNamara, J. D.; Toporkov, M.; Avrutin, V.; Morkoç, H.; Usikov, A.; Helava, H.; Makarov, Yu.

2016-01-01

Point defects in high-purity GaN layers grown by hydride vapor phase epitaxy are studied by steady-state and time-resolved photoluminescence (PL). The electron-capture coefficients for defects responsible for the dominant defect-related PL bands in this material are found. The capture coefficients for all the defects, except for the green luminescence (GL1) band, are independent of temperature. The electron-capture coefficient for the GL1 band significantly changes with temperature because the GL1 band is caused by an internal transition in the related defect, involving an excited state acting as a giant trap for electrons. By using the determined electron-capture coefficients, the concentration of free electrons can be found at different temperatures by a contactless method. A new classification system is suggested for defect-related PL bands in undoped GaN. PMID:27901025

The Correlation Between Dislocations and Vacancy Defects Using Positron Annihilation Spectroscopy

NASA Astrophysics Data System (ADS)

Pang, Jinbiao; Li, Hui; Zhou, Kai; Wang, Zhu

2012-07-01

An analysis program for positron annihilation lifetime spectra is only applicable to isolated defects, but is of no use in the presence of defective correlations. Such limitations have long caused problems for positron researchers in their studies of complicated defective systems. In order to solve this problem, we aim to take a semiconductor material, for example, to achieve a credible average lifetime of single crystal silicon under plastic deformation at different temperatures using positron life time spectroscopy. By establishing reasonable positron trapping models with defective correlations and sorting out four lifetime components with multiple parameters, as well as their respective intensities, information is obtained on the positron trapping centers, such as the positron trapping rates of defects, the density of the dislocation lines and correlation between the dislocation lines, and the vacancy defects, by fitting with the average lifetime with the aid of Matlab software. These results give strong grounds for the existence of dislocation-vacancy correlation in plastically deformed silicon, and lay a theoretical foundation for the analysis of positron lifetime spectra when the positron trapping model involves dislocation-related defects.

The Development of Spectroscopic Techniques to Study Defects in Thin Film Silicon-Dioxide

NASA Astrophysics Data System (ADS)

Zvanut, Mary Ellen

This dissertation research concerns the study of defects in thin film sputtered SiO_2 which is used as an optical coating material. The capacitance-voltage and current-voltage techniques typically used in microelectronics investigations were used to examine the concentration, location, and kinetics of charge in an aluminum-sputtered oxide-native oxide-silicon capacitor. The response of the capacitor to low field bias stress reveals a hysteretic trapping behavior similar to that observed in microelectronic grade oxide films. In an effort to understand this phenomenon, a band-to-trap tunneling model was developed based on the assumption that the defect involved exhibits a delta function spatial distribution and an extended energy distribution. The central feature of this model, defect relaxation, provides a physical explanation for the hysteretic trapping behavior. Analysis yields that the trap is located spatially within 2 nm of the Si/SiO _2 interface and energetically less than 5 eV from the SiO_2 conduction band edge. The relaxation energy associated with the capture of an electron at the trap is 0.1-2.2 eV. Correlation of the electrical measurements executed for this investigation with electron paramagnetic resonance (EPR) data obtained by Dr. P. Caplan provides structural information about the defect involved with the hysteretic trapping phenomenon. EPR results obtained before and after subjecting an oxide-silicon structure to corona discharge suggest that the trapping center is an E^ ' defect. The technique of band-to-trap tunneling spectroscopy combined with the EPR experiments provides the first reported trap depth associated with the capture of a hole at an E^' center located near the silicon surface of an oxide/silicon system.

Excess-Si related defect centers in buried SiO2 thin films

NASA Astrophysics Data System (ADS)

Warren, W. L.; Fleetwood, D. M.; Shaneyfelt, M. R.; Schwank, J. R.; Winokur, P. S.; Devine, R. A. B.

1993-06-01

Using electron paramagnetic resonance (EPR) and capacitance-voltage measurements we have investigated the role of excess-silicon related defect centers as charge traps in separation by the implantation of oxygen materials. Three types of EPR-active centers were investigated: oxygen vacancy Eγ' centers (O3≡Si• +Si≡O3), delocalized Eδ' centers, and D centers (Si3≡Si•). It was found that all of these paramagnetic centers are created by selective hole injection, and are reasonably ascribed as positively charged when paramagnetic. These results provide the first experimental evidence for (1) the charge state of the Eδ' center, and (2) that the D center is an electrically active point defect in these materials.

Efficiency droop in GaN LEDs at high injection levels: Role of hydrogen

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

Bochkareva, N. I.; Sheremet, I. A.; Shreter, Yu. G., E-mail: y.shreter@mail.ioffe.ru

2016-10-15

Point defects in GaN and, in particular, their manifestation in the photoluminescence, optical absorption, and recombination current in light-emitting diodes with InGaN/GaN quantum wells are analyzed. The results of this analysis demonstrate that the wide tail of defect states in the band gap of GaN facilitates the trap-assisted tunneling of thermally activated carriers into the quantum well, but simultaneously leads to a decrease in the nonradiative-recombination lifetime and to an efficiency droop as the quasi-Fermi levels intersect the defect states with increasing forward bias. The results reveal the dominant role of hydrogen in the recombination activity of defects with danglingmore » bonds and in the efficiency of GaN-based devices.« less

Probing the density of trap states in the middle of the bandgap using ambipolar organic field-effect transistors

NASA Astrophysics Data System (ADS)

Häusermann, Roger; Chauvin, Sophie; Facchetti, Antonio; Chen, Zhihua; Takeya, Jun; Batlogg, Bertram

2018-04-01

The number of trap states in the band gap of organic semiconductors directly influences the charge transport as well as the threshold and turn-on voltage. Direct charge transport measurements have been used until now to probe the trap states rather close to the transport level, whereas their number in the middle of the band gap has been elusive. In this study, we use PDIF-CN2, a well known n-type semiconductor, together with vanadium pentoxide electrodes to build ambipolar field-effect transistors. Employing three different methods, we study the density of trap states in the band gap of the semiconductor. These methods give consistent results, and no pool of defect states was found. Additionally, we show first evidence that the number of trap states close to the transport level is correlated with the number of traps in the middle of the band-gap, meaning that a high number of trap states close to the transport level also implies a high number of trap states in the middle of the band gap. This points to a common origin of the trap states over a wide energy range.

Topological Defects in Liquid Crystals: Studying the Correlation between Defects and Curvature

NASA Astrophysics Data System (ADS)

Melton, Charles

2015-03-01

Topological defects have recently been the subject of many fascinating studies in soft condensed matter physics. In particular, linking the evolution of topological defects to curvature changes has been a focus, leading possible applications in the areas such as cosmetics, pharmaceuticals, and electronics. In this study, defects in nematic liquid crystal droplets are investigated via laboratory and theoretical techniques. Nematic liquid crystal defects are reproduced via Monte Carlo simulations using a modified 2D XY-Model Hamiltonian. The simulation is performed on a curved surface to replicate a nematic droplet and examine possible defect configurations. To complement this theoretical work, we have trapped nematic droplets inside a dual-beam optical trap. This system allows controllable non-contact droplet deformation on a microscope based platform. Future work will focus on using the trap to stretch nematic droplets, correlating the changing topological defects with theoretical predictions.

The influence of interfacial defects on fast charge trapping in nanocrystalline oxide-semiconductor thin film transistors

NASA Astrophysics Data System (ADS)

Kim, Taeho; Hur, Jihyun; Jeon, Sanghun

2016-05-01

Defects in oxide semiconductors not only influence the initial device performance but also affect device reliability. The front channel is the major carrier transport region during the transistor turn-on stage, therefore an understanding of defects located in the vicinity of the interface is very important. In this study, we investigated the dynamics of charge transport in a nanocrystalline hafnium-indium-zinc-oxide thin-film transistor (TFT) by short pulse I-V, transient current and 1/f noise measurement methods. We found that the fast charging behavior of the tested device stems from defects located in both the front channel and the interface, following a multi-trapping mechanism. We found that a silicon-nitride stacked hafnium-indium-zinc-oxide TFT is vulnerable to interfacial charge trapping compared with silicon-oxide counterpart, causing significant mobility degradation and threshold voltage instability. The 1/f noise measurement data indicate that the carrier transport in a silicon-nitride stacked TFT device is governed by trapping/de-trapping processes via defects in the interface, while the silicon-oxide device follows the mobility fluctuation model.

Defect-free atomic array formation using the Hungarian matching algorithm

NASA Astrophysics Data System (ADS)

Lee, Woojun; Kim, Hyosub; Ahn, Jaewook

2017-05-01

Deterministic loading of single atoms onto arbitrary two-dimensional lattice points has recently been demonstrated, where by dynamically controlling the optical-dipole potential, atoms from a probabilistically loaded lattice were relocated to target lattice points to form a zero-entropy atomic lattice. In this atom rearrangement, how to pair atoms with the target sites is a combinatorial optimization problem: brute-force methods search all possible combinations so the process is slow, while heuristic methods are time efficient but optimal solutions are not guaranteed. Here, we use the Hungarian matching algorithm as a fast and rigorous alternative to this problem of defect-free atomic lattice formation. Our approach utilizes an optimization cost function that restricts collision-free guiding paths so that atom loss due to collision is minimized during rearrangement. Experiments were performed with cold rubidium atoms that were trapped and guided with holographically controlled optical-dipole traps. The result of atom relocation from a partially filled 7 ×7 lattice to a 3 ×3 target lattice strongly agrees with the theoretical analysis: using the Hungarian algorithm minimizes the collisional and trespassing paths and results in improved performance, with over 50% higher success probability than the heuristic shortest-move method.

Water-sensitive positron trapping modes in nanoporous magnesium aluminate ceramics

NASA Astrophysics Data System (ADS)

Filipecki, J.; Ingram, A.; Klym, H.; Shpotyuk, O.; Vakiv, M.

2007-08-01

The water-sensitive positron trapping modes in nanoporous MgAl2O4 ceramics with a spinel structure are studied. It is shown that water-sorption processes in magnesium aluminate ceramics leads to corresponding increase in positron trapping rates of extended defects located near intergranual boundaries. This catalytic affect has reversible nature, being strongly dependent on sorption water fluxes in ceramics. The fixation of all water-dependent positron trapping inputs allow to refine the most significant changes in positron trapping rate of extended defects.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Observation of trapped light induced by Dwarf Dirac-cone in out-of-plane condition for photonic crystals

NASA Astrophysics Data System (ADS)

Majumder, Subir; Biswas, Tushar; Bhadra, Shaymal K.

2016-10-01

Existence of out-of-plane conical dispersion for a triangular photonic crystal lattice is reported. It is observed that conical dispersion is maintained for a number of out-of-plane wave vectors (k z ). We study a case where Dirac like linear dispersion exists but the photonic density of states is not vanishing, called Dwarf Dirac cone (DDC) which does not support localized modes. We demonstrate the trapping of such modes by introducing defects in the crystal. Interestingly, we find by k-point sampling as well as by tuning trapped frequency that such a conical dispersion has an inherent light confining property and it is governed by neither of the known wave confining mechanisms like total internal reflection, band gap guidance. Our study reveals that such a conical dispersion in a non-vanishing photonic density of states induces unexpected intense trapping of light compared with those at other points in the continuum. Such studies provoke fabrication of new devices with exciting properties and new functionalities. Project supported by Director, CSIR-CGCRI, the DST, Government of India, and the CSIR 12th Plan Project (GLASSFIB), India.

Charge Trapping Properties of Ge Nanocrystals Grown via Solid-State Dewetting

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

Johnston, Steven; Jadli, I.; Aouassa, M.

2018-05-04

In the present work, we report on the charge trapping properties of Germanium Nanocrystals (Ge NCs) self assembled on SiO2 thin layer for promising applications in next-generation non volatile memory by the means of Deep Level Transient Spectroscopy (DLTS) and high frequency C-V method. The Ge NCs were grown via dewetting phenomenon at solid state by Ultra-High Vacuum (UHV) annealing and passivated with silicon before SiO2 capping. The role of the surface passivation is to reduce the electrical defect density at the Ge NCs-SiO2 interface. The presence of the Ge NCs in the oxide of the MOS capacitors strongly affectsmore » the C-V characteristics and increases the accumulation capacitance, causes a negative flat band voltage (VFB) shift. The DLTS has been used to study the individual Ge NCs as a single point deep level defect in the oxide. DLTS reveals two main features: the first electron traps around 255 K could correspond to dangling bonds at the Si/SiO2 interface and the second, at high-temperature (>300 K) response, could be originated from minority carrier generation in Ge NCs.« less

Density-functional study on the dopant-segregation mechanism: Chemical potential dependence of dopant-defect complex at Si/SiO2 interface

NASA Astrophysics Data System (ADS)

Kawai, Hiroki; Nakasaki, Yasushi; Kanemura, Takahisa; Ishihara, Takamitsu

2018-04-01

Dopant segregation at Si/SiO2 interface has been a serious problem in silicon device technology. This paper reports a comprehensive density-functional study on the segregation mechanisms of boron, phosphorous, and arsenic at the Si/SiO2 interface. We found that three kinds of interfacial defects, namely, interstitial oxygen, oxygen vacancy, and silicon vacancy with two oxygen atoms, are stable in the possible chemical potential range. Thus, we consider these defects as trap sites for the dopants. For these defects, the dopant segregation energies, the electrical activities of the trapped dopants, and the kinetic energy barriers of the trapping/detrapping processes are calculated. As a result, trapping at the interstitial oxygen site is indicated to be the most plausible mechanism of the dopant segregation. The interstitial oxygen works as a major trap site since it has a high areal density at the Si/SiO2 interface due to the low formation energy.

Defect levels of semi-insulating CdMnTe:In crystals

NASA Astrophysics Data System (ADS)

Kim, K. H.; Bolotinikov, A. E.; Camarda, G. S.; Hossain, A.; Gul, R.; Yang, G.; Cui, Y.; Prochazka, J.; Franc, J.; Hong, J.; James, R. B.

2011-06-01

Using photoluminescence (PL) and current deep-level transient spectroscopy (I-DLTS), we investigated the electronic defects of indium-doped detector-grade CdMnTe:In (CMT:In) crystals grown by the vertical Bridgman method. We similarly analyzed CdZnTe:In (CZT:In) and undoped CdMnTe (CMT) crystals grown under the amount of same level of excess Te and/or indium doping level to detail the fundamental properties of the electronic defect structure more readily. Extended defects, existing in all the samples, were revealed by synchrotron white beam x-ray diffraction topography and scanning electron microscopy. The electronic structure of CMT is very similar to that of CZT, with shallow traps, A-centers, Cd vacancies, deep levels, and Te antisites. The 1.1-eV deep level, revealed by PL in earlier studies of CZT and CdTe, were attributed to dislocation-induced defects. In our I-DLTS measurements, the 1.1-eV traps showed different activation energies with applied bias voltage and an exponential dependence on the trap-filling time, which are typical characteristics of dislocation-induced defects. We propose a new defect-trap model for indium-doped CMT crystals.

A Wsbnd Ne interatomic potential for simulation of neon implantation in tungsten

NASA Astrophysics Data System (ADS)

Backman, Marie; Juslin, Niklas; Huang, Guiyang; Wirth, Brian D.

2016-08-01

An interatomic pair potential for Wsbnd Ne is developed for atomistic molecular dynamics simulations of neon implantation in tungsten. The new potential predicts point defect energies and binding energies of small clusters that are in good agreement with electronic structure calculations. Molecular dynamics simulations of small neon clusters in tungsten show that trap mutation, in which an interstitial neon cluster displaces a tungsten atom from its lattice site, occurs for clusters of three or more neon atoms. However, near a free surface, trap mutation can occur at smaller sizes, including even a single neon interstitial in close proximity to a (100) or (110) surface.

Oxygen diffusion in alpha-Al2O3. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Cawley, J. D.; Halloran, J. W.; Cooper, A. R.

1984-01-01

Oxygen self diffusion coefficients were determined in single crystal alpha-Al2O3 using the gas exchange technique. The samples were semi-infinite slabs cut from five different boules with varying background impurities. The diffusion direction was parallel to the c-axis. The tracer profiles were determined by two techniques, single spectrum proton activation and secondary ion mass spectrometry. The SIMS proved to be a more useful tool. The determined diffusion coefficients, which were insensitive to impurity levels and oxygen partial pressure, could be described by D = .00151 exp (-572kJ/RT) sq m/s. The insensitivities are discussed in terms of point defect clustering. Two independent models are consistent with the findings, the first considers the clusters as immobile point defect traps which buffer changes in the defect chemistry. The second considers clusters to be mobile and oxygen diffusion to be intrinsic behavior, the mechanism for oxygen transport involving neutral clusters of Schottky quintuplets.

Electronic defects in the halide antiperovskite semiconductor Hg3Se2I2

NASA Astrophysics Data System (ADS)

Kim, Joon-Il; Peters, John A.; He, Yihui; Liu, Zhifu; Das, Sanjib; Kontsevoi, Oleg Y.; Kanatzidis, Mercouri G.; Wessels, Bruce W.

2017-10-01

Halide perovskites have emerged as a potential photoconducting material for photovoltaics and hard radiation detection. We investigate the nature of charge transport in the semi-insulating chalcohalide Hg3Se2I2 compound using the temperature dependence of dark current, thermally stimulated current (TSC) spectroscopy, and photoconductivity measurements as well as first-principles density functional theory (DFT) calculations. Dark conductivity measurements and TSC spectroscopy indicate the presence of multiple shallow and deep level traps that have relatively low concentrations of the order of 1013-1015c m-3 and capture cross sections of ˜10-16c m2 . A distinct persistent photoconductivity is observed at both low temperatures (<170 K ) and high temperatures (>230 K), with major implications for room-temperature compound semiconductor radiation detection. From preliminary DFT calculations, the origin of the traps is attributed to intrinsic vacancy defects (VHg, VSe, and VI) and interstitials (Seint) or other extrinsic impurities. The results point the way for future improvements in crystal quality and detector performance.

Recombination in Perovskite Solar Cells: Significance of Grain Boundaries, Interface Traps, and Defect Ions.

PubMed

Sherkar, Tejas S; Momblona, Cristina; Gil-Escrig, Lidón; Ávila, Jorge; Sessolo, Michele; Bolink, Henk J; Koster, L Jan Anton

2017-05-12

Trap-assisted recombination, despite being lower as compared with traditional inorganic solar cells, is still the dominant recombination mechanism in perovskite solar cells (PSCs) and limits their efficiency. We investigate the attributes of the primary trap-assisted recombination channels (grain boundaries and interfaces) and their correlation to defect ions in PSCs. We achieve this by using a validated device model to fit the simulations to the experimental data of efficient vacuum-deposited p-i-n and n-i-p CH 3 NH 3 PbI 3 solar cells, including the light intensity dependence of the open-circuit voltage and fill factor. We find that, despite the presence of traps at interfaces and grain boundaries (GBs), their neutral (when filled with photogenerated charges) disposition along with the long-lived nature of holes leads to the high performance of PSCs. The sign of the traps (when filled) is of little importance in efficient solar cells with compact morphologies (fused GBs, low trap density). On the other hand, solar cells with noncompact morphologies (open GBs, high trap density) are sensitive to the sign of the traps and hence to the cell preparation methods. Even in the presence of traps at GBs, trap-assisted recombination at interfaces (between the transport layers and the perovskite) is the dominant loss mechanism. We find a direct correlation between the density of traps, the density of mobile ionic defects, and the degree of hysteresis observed in the current-voltage ( J - V ) characteristics. The presence of defect states or mobile ions not only limits the device performance but also plays a role in the J - V hysteresis.

Why Chemical Vapor Deposition Grown MoS2 Samples Outperform Physical Vapor Deposition Samples: Time-Domain ab Initio Analysis.

PubMed

Li, Linqiu; Long, Run; Prezhdo, Oleg V

2018-06-13

Two-dimensional transition metal dichalcogenides (TMDs) have drawn strong attention due to their unique properties and diverse applications. However, TMD performance depends strongly on material quality and defect morphology. Experiments show that samples grown by chemical vapor deposition (CVD) outperform those obtained by physical vapor deposition (PVD). Experiments also show that CVD samples exhibit vacancy defects, while antisite defects are frequently observed in PVD samples. Our time-domain ab initio study demonstrates that both antisites and vacancies accelerate trapping and nonradiative recombination of charge carriers, but antisites are much more detrimental than vacancies. Antisites create deep traps for both electrons and holes, reducing energy gaps for recombination, while vacancies trap primarily holes. Antisites also perturb band-edge states, creating significant overlap with the trap states. In comparison, vacancy defects overlap much less with the band-edge states. Finally, antisites can create pairs of electron and hole traps close to the Fermi energy, allowing trapping by thermal activation from the ground state and strongly contributing to charge scattering. As a result, antisites accelerate charge recombination by more than a factor of 8, while vacancies enhance the recombination by less than a factor of 2. Our simulations demonstrate a general principle that missing atoms are significantly more benign than misplaced atoms, such as antisites and adatoms. The study rationalizes the existing experimental data, provides theoretical insights into the diverse behavior of different classes of defects, and generates guidelines for defect engineering to achieve high-performance electronic, optoelectronic, and solar-cell devices.

Effects of Processing on MOS Radiation Hardening

DTIC Science & Technology

1992-09-01

magnitude) impurity inclusion for Fluorine sources vs. Chlorine sources, many of the other beneficial effects on point defects, traps, MOS quality, etc...profiles. The addition of percent concentrations of a chlorine rates from 1 to 10 ml/nmr. This corresponded to fluorine bearing compound to the silicon...computes the partial roethane and gaseous nitrogen trifluoride . The alphatic liq- pres-ures of all the possible species in equilibrium in the uid

Recent progress in the understanding of H transport and trapping in W

NASA Astrophysics Data System (ADS)

Schmid, K.; Bauer, J.; Schwarz-Selinger, T.; Markelj, S.; Toussaint, U. v.; Manhard, A.; Jacob, W.

2017-12-01

The retention of hydrogen isotopes (HIs) (H, D and T) in the first, plasma exposed wall is one of the key concerns for the operation of future long pulse fusion devices. It affects the particle-, momentum- and energy balance in the scrape off layer as well as the retention of HIs and their permeation into the coolant. The currently accepted picture that is used for interpreting current laboratory and tokamak experiments is that of diffusion hindered by trapping at lattice defects. This paper summarises recent results that show that this current picture of how HIs are transported and retained in W needs to be extended: the modification of the surface (e.g. blistering) can lead to the formation of fast loss channels for near surface HIs. Trapping at single occupancy traps with fixed de-trapping energy fails to explain isotope exchange experiments, instead a trapping model with multi occupancy traps and fill level dependent de-trapping energies is required. The presence of interstitial impurities like N or C may affect the transport of solute HI. The presence of HIs during damage creation by e.g. neutrons stabilises defects and reduces defect annealing at elevated temperatures.

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

PubMed Central

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

2013-01-01

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

Carrier removal and defect behavior in p-type InP

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

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

NASA Astrophysics Data System (ADS)

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

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

Characterization of deep level defects and thermally stimulated depolarization phenomena in La-doped TlInS{sub 2} layered semiconductor

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

Seyidov, MirHasan Yu., E-mail: smirhasan@gyte.edu.tr; Suleymanov, Rauf A.; Mikailzade, Faik A.

2015-06-14

Lanthanum-doped high quality TlInS{sub 2} (TlInS{sub 2}:La) ferroelectric-semiconductor was characterized by photo-induced current transient spectroscopy (PICTS). Different impurity centers are resolved and identified. Analyses of the experimental data were performed in order to determine the characteristic parameters of the extrinsic and intrinsic defects. The energies and capturing cross section of deep traps were obtained by using the heating rate method. The observed changes in the Thermally Stimulated Depolarization Currents (TSDC) near the phase transition points in TlInS{sub 2}:La ferroelectric-semiconductor are interpreted as a result of self-polarization of the crystal due to the internal electric field caused by charged defects. Themore » TSDC spectra show the depolarization peaks, which are attributed to defects of dipolar origin. These peaks provide important information on the defect structure and localized energy states in TlInS{sub 2}:La. Thermal treatments of TlInS{sub 2}:La under an external electric field, which was applied at different temperatures, allowed us to identify a peak in TSDC which was originated from La-dopant. It was established that deep energy level trap BTE43, which are active at low temperature (T ≤ 156 K) and have activation energy 0.29 eV and the capture cross section 2.2 × 10{sup −14} cm{sup 2}, corresponds to the La dopant. According to the PICTS results, the deep level trap center B5 is activated in the temperature region of incommensurate (IC) phases of TlInS{sub 2}:La, having the giant static dielectric constant due to the structural disorders. From the PICTS simulation results for B5, native deep level trap having an activation energy of 0.3 eV and the capture cross section of 1.8 × 10{sup −16} cm{sup 2} were established. A substantial amount of residual space charges is trapped by the deep level localized energy states of B5 in IC-phase. While the external electric field is applied, permanent dipoles, which are originated from the charged B5 deep level defects, are aligned in the direction of the applied electric field and the equilibrium polarization can be reached in a relatively short time. When the polarization field is maintained, while cooling the temperature of sample to a sufficiently low degrees, the relaxation times of the aligned dipoles drastically increases. Practically, frozen internal electric field or electrets states remain inside the TlInS{sub 2}:La when the applied bias field is switched off. The influence of deep level defects on TSDC spectra of TlInS{sub 2}:La has been revealed for the first time.« less

Surface acceptor states in MBE-grown CdTe layers

NASA Astrophysics Data System (ADS)

Wichrowska, Karolina; Wosinski, Tadeusz; Tkaczyk, Zbigniew; Kolkovsky, Valery; Karczewski, Grzegorz

2018-04-01

A deep-level hole trap associated with surface defect states has been revealed with deep-level transient spectroscopy investigations of metal-semiconductor junctions fabricated on nitrogen doped p-type CdTe layers grown by the molecular-beam epitaxy technique. The trap displayed the hole-emission activation energy of 0.33 eV and the logarithmic capture kinetics indicating its relation to extended defect states at the metal-semiconductor interface. Strong electric-field-induced enhancement of the thermal emission rate of holes from the trap has been attributed to the phonon-assisted tunneling effect from defect states involving very large lattice relaxation around the defect and metastability of its occupied state. Passivation with ammonium sulfide of the CdTe surface, prior to metallization, results in a significant decrease in the trap density. It also results in a distinct reduction in the width of the surface-acceptor-state-induced hysteresis loops in the capacitance vs. voltage characteristics of the metal-semiconductor junctions.

Effects of Plasma Hydrogenation on Trapping Properties of Dislocations in Heteroepitaxial InP/GaAs

NASA Technical Reports Server (NTRS)

Ringel, S. A.; Chatterjee, B.

1994-01-01

In previous work, we have demonstrated the effectiveness of a post-growth hydrogen plasma treatment for passivating the electrical activity of dislocations in metalorganic chemical vapor deposition (MOCVD) grown InP on GaAs substrates by a more than two order of magnitude reduction in deep level concentration and an improvement in reverse bias leakage current by a factor of approx. 20. These results make plasma hydrogenation an extremely promising technique for achieving high efficiency large area and light weight heteroepitaxial InP solar cells for space applications. In this work we investigate the carrier trapping process by dislocations in heteroepitaxial InP/GaAs and the role of hydrogen passivation on this process. It is shown that the charge trapping kinetics of dislocations after hydrogen passivation are significantly altered, approaching point defect-like behavior consistent with a transformation from a high concentration of dislocation-related defect bands within the InP bandgap to a low concentration of individual deep levels after hydrogen passivation. It is further shown that the "apparent" activation energies of dislocation related deep levels, before and after passivation, reduce by approx. 70 meV as DLTS fill pulse times are increased from 1 usec. to 1 msec. A model is proposed which explains these effects based on a reduction of Coulombic interaction between individual core sites along the dislocation cores by hydrogen incorporation. Knowledge of the trapping properties in these specific structures is important to develop optimum, low loss heteroepitaxial InP cells.

Metastable defect response in CZTSSe from admittance spectroscopy

DOE PAGES

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

2017-10-02

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

Recombination-Enhanced Effect in Green/Yellow Luminescence from BeZnCdSe Quantum Wells Grown by Molecular Beam Epitaxy

NASA Astrophysics Data System (ADS)

Akimoto, Ryoichi

2018-02-01

The recombination-enhanced defect reaction (REDR) effect in single green/yellow emission BeZnCdSe quantum wells (QWs) has been investigated using photoluminescence (PL) microscopy and time-resolved PL measurements. Even though a lattice hardening effect is expected in BeZnCdSe QWs alloyed with beryllium, PL intensity enhancement due to photoannealing as well as subsequent degradation due to generation of dark spot defects (DSDs) and dark line defects (DLDs) were observed. PL microscopy provided insights into the REDR effect during photoannealing. PL images were spatially inhomogeneous in intensity for the as-grown wafer, with the darker areas having size from submicrometer to 1 μm becoming brighter with the progress of photoannealing, revealing a built-in distribution of point defects incorporated in the structure during crystal growth. In addition, we showed that the PL lifetime increased with the progress of photoannealing; hence, the density of point defects decreased due to the REDR effect. A nonradiative decay channel insensitive to the REDR effect was also found in the area free from DSDs and DLDs, suggesting that another type of defect remained in the structure (note that this is not the defect reported in study of slow-mode degradation in long-lived laser diodes). As the degradation progresses, a nonradiative channel such as photocarrier diffusion and subsequent trapping by a patch of DLDs will emerge before radiative recombination.

Defect evolution and impurity migration in Na-implanted ZnO

NASA Astrophysics Data System (ADS)

Neuvonen, Pekka T.; Vines, Lasse; Venkatachalapathy, Vishnukanthan; Zubiaga, Asier; Tuomisto, Filip; Hallén, Anders; Svensson, Bengt G.; Kuznetsov, Andrej Yu.

2011-11-01

Secondary ion mass spectrometry (SIMS) and positron annihilation spectroscopy (PAS) have been applied to study impurity migration and open volume defect evolution in Na+ implanted hydrothermally grown ZnO samples. In contrast to most other elements, the presence of Na tends to decrease the concentration of open volume defects upon annealing and for temperatures above 600∘C, Na exhibits trap-limited diffusion correlating with the concentration of Li. A dominating trap for the migrating Na atoms is most likely Li residing on Zn site, but a systematic analysis of the data suggests that zinc vacancies also play an important role in the trapping process.

Evolution of native point defects in ZnO bulk probed by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Peng, Cheng-Xiao; Wang, Ke-Fan; Zhang, Yang; Guo, Feng-Li; Weng, Hui-Min; Ye, Bang-Jiao

2009-05-01

This paper studies the evolution of native point defects with temperature in ZnO single crystals by positron lifetime and coincidence Doppler broadening (CDB) spectroscopy, combined with the calculated results of positron lifetime and electron momentum distribution. The calculated and experimental results of the positron lifetime in ZnO bulk ensure the presence of zinc monovacancy, and zinc monovacancy concentration begins to decrease above 600 °C annealing treatment. CDB is an effective method to distinguish the elemental species, here we combine this technique with calculated electron momentum distribution to determine the oxygen vacancies, which do not trap positrons due to their positive charge. The CDB spectra show that oxygen vacancies do not appear until 600 °C annealing treatment, and increase with the increase of annealing temperature. This study supports the idea that green luminescence has a close relation with oxygen vacancies.

Probing defects in ZnO nanostructures by Photoluminescence and Positron Annihilation Spectroscopy

NASA Astrophysics Data System (ADS)

Ghosh, Manoranjan; Raychaudhuri, A. K.; Chaudhuri, S. K.; Das, Dipankar

2008-03-01

We have investigated defect related emission in the blue green region (2.2 eV -- 2.5 eV) of ZnO nanostructures having spherical (5 nm-15 nm) as well as those with hexagonal platelet and rod like morphologies (20nm-100 nm), synthesized by solvo-thermal route. This emission show anomalous size dependence. Emission energy near 2.2 eV, shifts to higher energy (2.5 eV) for increase in size beyond 20nm when shape of the nanostructures changes. This change in photoluminescence has a close correlation with the size (and shape) induced change in the positron trapping rate which is directly proportional to the defect concentration. The trapping rates show non-monotonous dependence on size. It increases initially as the size increases (5nm-15nm) and then decreases as the size increases beyond 20nm. While increase of the trapping rate on size reduction is expected due to accumulation of more defects at the surface, the initial dependence of the trapping rate on the size (below 20nm) is anomalous. The data are explained by the presence of defects like Zn vacancy and confinement due to size reduction.

Molecular dynamics modeling of helium bubbles in austenitic steels

NASA Astrophysics Data System (ADS)

Jelea, A.

2018-06-01

The austenitic steel devices from pressurized water reactors are continuously subjected to neutron irradiation that produces crystalline point defects and helium atoms in the steel matrix. These species evolve into large defects such as dislocation loops and helium filled bubbles. This paper analyzes, through molecular dynamics simulations with recently developed interatomic potentials, the impact of the helium/steel interface on the helium behavior in nanosize bubbles trapped in an austenitic steel matrix. It is shown that the repulsive helium-steel interactions induce higher pressures in the bubble compared to bulk helium at the same temperature and average density. A new equation of state for helium is proposed in order to take into account these interface effects.

Geometrically unrestricted, topologically constrained control of liquid crystal defects using simultaneous holonomic magnetic and holographic optical manipulation.

PubMed

Varney, Michael C M; Jenness, Nathan J; Smalyukh, Ivan I

2014-02-01

Despite the recent progress in physical control and manipulation of various condensed matter, atomic, and particle systems, including individual atoms and photons, our ability to control topological defects remains limited. Recently, controlled generation, spatial translation, and stretching of topological point and line defects have been achieved using laser tweezers and liquid crystals as model defect-hosting systems. However, many modes of manipulation remain hindered by limitations inherent to optical trapping. To overcome some of these limitations, we integrate holographic optical tweezers with a magnetic manipulation system, which enables fully holonomic manipulation of defects by means of optically and magnetically controllable colloids used as "handles" to transfer forces and torques to various liquid crystal defects. These colloidal handles are magnetically rotated around determined axes and are optically translated along three-dimensional pathways while mechanically attached to defects, which, combined with inducing spatially localized nematic-isotropic phase transitions, allow for geometrically unrestricted control of defects, including previously unrealized modes of noncontact manipulation, such as the twisting of disclination clusters. These manipulation capabilities may allow for probing topological constraints and the nature of defects in unprecedented ways, providing the foundation for a tabletop laboratory to expand our understanding of the role defects play in fields ranging from subatomic particle physics to early-universe cosmology.

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

NASA Astrophysics Data System (ADS)

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

2014-07-01

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

Defect states and their energetic position and distribution in organic molecular semiconductors

NASA Astrophysics Data System (ADS)

Sharma, Akanksha; Yadav, Sarita; Kumar, Pramod; Ray Chaudhuri, Sumita; Ghosh, Subhasis

2013-04-01

Energetic position and distribution of defect states due to structural disorder in pentacene and copper phthalocyanine have been obtained by capacitance based spectroscopic techniques. It has been shown that capacitance-frequency and capacitance-voltage characteristics exhibit Gaussian distribution of traps with an energetic position at around 0.5 eV above the highest occupied molecular orbital level of the pentacene and CuPc. These traps have been created by varying growth conditions and almost identical trap parameters in pentacene and copper phthalocyanine indicate that similar structural disorder is responsible for these traps.

Investigation of hydrogen interaction with defects in zirconia

NASA Astrophysics Data System (ADS)

Melikhova, O.; Kuriplach, J.; Čížek, J.; Procházka, I.; Brauer, G.; Anwand, W.

2010-04-01

Defect studies of a ZrO2 + 9 mol. % Y2O3 single crystal were performed in this work using a high resolution positron lifetime spectroscopy combined with slow positron implantation spectroscopy. In order to elucidate the nature of positron trapping sites observed experimentally, the structural relaxations of several types of vacancy-like defects in zirconia were performed and positron characteristics for them were calculated. Relaxed atomic configurations of studied defects were obtained by means of ab initio pseudopotential method within the supercell approach. Theoretical calculations indicated that neither oxygen vacancies nor their neutral complexes with substitute yttrium atoms are capable of positron trapping. On the other hand, zirconium vacancies are deep positron traps and are most probably responsible for the saturated positron trapping observed in yttria stabilized zirconia single crystals. However, the calculated positron lifetime for zirconium vacancy is apparently longer than the experimental value corresponding to a single-component spectrum measured for the cubic ZrO2 + 9 mol. % Y2O3 single crystal. It was demonstrated that this effect can be explained by hydrogen trapped in zirconium vacancies. On the basis of structure relaxations, we found that zirconium vacancy - hydrogen complexes represent deep positron traps with the calculated lifetime close to the experimental one. In zirconium vacancy - hydrogen complexes the hydrogen atom forms an O-H bond with one of the nearest neighbour oxygen atoms. The calculated bond length is close to 1 Å.

Study of defects in an electroresistive Au/La2/3Sr1/3MnO3/SrTiO3(001) heterostructure by positron annihilation

NASA Astrophysics Data System (ADS)

Ferragut, R.; Dupaquier, A.; Brivio, S.; Bertacco, R.; Egger, W.

2011-09-01

Defects in an ultrathin Au/La2/3Sr1/3MnO3/SrTiO3 (Au/LSMO/STO) heterostructure displaying electroresistive behavior were studied using variable energy positron annihilation spectroscopy. Vacancy-like defects were found to be the dominant positron traps in the LSMO and STO thin perovskite oxides with a number density >1017 cm-3 and 2 × 1017 cm-3 in the STO substrate. High defect density was revealed by strong positron trapping at the Au/LSMO interface. Oxygen deficiency in LSMO would be the main source of these traps. Besides, a low density of sub-nano voids of ˜6 Å was found in the substrate and in the thin LSMO/STO films.

DLTS analysis of radiation-induced defects in one-MeV electron irradiated germanium and Alsub0.17Gasub0.83As solar cells

NASA Technical Reports Server (NTRS)

Li, S. B.; Choi, C. G.; Loo, R. Y.

1985-01-01

The radiation-induced deep-level defects in one-MeV electron-irradiated germanium and AlxGal-xAs solar cell materials using the deep-level transient spectroscopy (DLTS) and C-V techniques were investigated. Defect and recombination parameters such as defect density and energy levels, capture cross sections and lifetimes for both electron and hole traps were determined. The germanium and AlGaAs p/n junction cells were irradiated by one-MeV electrons. The DLTS, I-V, and C-V measurements were performed on these cells. The results are summarized as follows: (1) for the irradiated germanium samples, the dominant electron trap was due to the E sub - 0.24 eV level with density around 4x10 to the 14th power 1/cu cm, independent of electron fluence, its origin is attributed to the vacancy-donor complex defect formed during the electron irradiation; (2) in the one-MeV electron irradiated Al0.17Ga0.83 as sample, two dominant electron traps with energies of Ec-0.19 and -0.29 eV were observed, the density for both electron traps remained nearly constant, independent of electron fluence. It is shown that one-MeV electron irradiation creates very few or no new deep-level traps in both the germanium and AlxGa1-xAs cells, and are suitable for fabricating the radiation-hard high efficiency multijunction solar cells for space applications.

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

Marrakchi, G.; Barbier, D.; Guillot, G.

Electrical and deep level transient spectroscopy measurements on Schottky barriers were performed in order to characterize electrically active defects in n-type GaAs (Bridgman substrates or liquid-phase epitaxial layers) after pulsed electron beam annealing. Both surface damage and bulk defects were observed in the Bridgman substrates depending on the pulse energy density. No electron traps were detected in the liquid-phase epitaxial layers before and after annealing for an energy density of 0.4 J/cm/sup 2/. The existence of an interfacial insulating layer at the metal-semiconductor interface, associated with As out-diffusion during the pulsed electron irradiation, was revealed by the abnormally high valuesmore » of the Schottky barrier diffusion potential. Moreover, two new electron traps with activation energy of 0.35 and 0.43 eV, called EP1 and EP2, were introduced in the Bridgman substrates after pulsed electron beam annealing. The presence of these traps, related to the As evaporation, was tentatively attributed to the decrease of the EL2 electron trap signal after 0.4-J/cm/sup 2/ annealing. It is proposed that these new defects states are due to the decomposition of the As/sub Ga/-As/sub i/ complex recently considered as the most probable defect configuration for the dominant EL2 electron trap usually detected in as-grown GaAs substrates.« less

The thermally stimulated discharge of ion-irradiated oxide films

NASA Astrophysics Data System (ADS)

Wang, Qiuru; Zeng, Huizhong; Zhang, Wanli

2018-01-01

The ion irradiation technique is utilized to modify the surface structure of amorphous insulating oxide films. While introducing defects, a number of surface charges are injected into the films and captured in the traps during ion irradiation. The variation of surface morphology and the enhancement of emission spectrum corresponding to vacancy defects are respectively verified by atomic force microscopy and photoluminescence measurements. The surface charges trapped in the shallow traps are easy to release caused by thermal excitation, and discharge is observed during heating. Based on the thermally stimulated discharge measurements, the trap parameters of oxide films, such as activation energy and relaxation time, are calculated from experimental data.

Resonant tunneling through electronic trapping states in thin MgO magnetic junctions.

PubMed

Teixeira, J M; Ventura, J; Araujo, J P; Sousa, J B; Wisniowski, P; Cardoso, S; Freitas, P P

2011-05-13

We report an inelastic electron tunneling spectroscopy study on MgO magnetic junctions with thin barriers (0.85-1.35 nm). Inelastic electron tunneling spectroscopy reveals resonant electronic trapping within the barrier for voltages V>0.15  V. These trapping features are associated with defects in the barrier crystalline structure, as confirmed by high-resolution transmission electron microscopy. Such defects are responsible for resonant tunneling due to energy levels that are formed in the barrier. A model was applied to determine the average location and energy level of the traps, indicating that they are mostly located in the middle of the MgO barrier, in accordance with the high-resolution transmission electron microscopy data and trap-assisted tunneling conductance theory. Evidence of the influence of trapping on the voltage dependence of tunnel magnetoresistance is shown.

Effects of plasma hydrogenation on trapping properties of dislocations in heteroepitaxial InP/GaAs

NASA Technical Reports Server (NTRS)

Ringel, S. A.; Chatterjee, B.

1994-01-01

In previous work, we have demonstrated the effectiveness of a post-growth hydrogen plasma treatment for passivating the electrical activity of dislocations in metalorganic chemical vapor deposition (MOCVD) grown InP on GaAs substrates by a more than two order of magnitude reduction in deep level concentration and an improvement in reverse bias leakage current by a factor of approximately 20. These results make plasma hydrogenation an extremely promising technique for achieving high efficiency large area and light weight heteroepitaxial InP solar cells for space applications. In this work we investigate the carrier trapping process by dislocations in heteroepitaxial InP/GaAs and the role of hydrogen passivation on this process. It is shown that the charge trapping kinetics of dislocations after hydrogen passivation are significantly altered, approaching point defect-like behavior consistent with a transformation from a high concentration of dislocation-related defect bands within the InP bandgap to a low concentration of individual dislocation related deep levels, before and after passivation. It is further shown that the 'apparent' activation energies of dislocation related deep levels, before and after passivation, reduce by approximately 70 meV as DLTS fill pulse times are increased from 1 microsecond to 1 millisecond. A model is proposed which explains these effects based on a reduction of Coulombic interaction between individual core sites along the dislocation cores by hydrogen incorporation. Knowledge of the trapping properties in these specific structures is important to develop optimum, low loss heteroepitaxial InP cells.

Challenges in photon-starved space astronomy in a harsh radiation environment using CCDs

NASA Astrophysics Data System (ADS)

Hall, David J.; Bush, Nathan; Murray, Neil; Gow, Jason; Clarke, Andrew; Burgon, Ross; Holland, Andrew

2015-09-01

The Charge Coupled Device (CCD) has a long heritage for imaging and spectroscopy in many space astronomy missions. However, the harsh radiation environment experienced in orbit creates defects in the silicon that capture the signal being transferred through the CCD. This radiation damage has a detrimental impact on the detector performance and requires carefully planned mitigation strategies. The ESA Gaia mission uses 106 CCDs, now orbiting around the second Lagrange point as part of the largest focal-plane ever launched. Following readout, signal electrons will be affected by the traps generated in the devices from the radiation environment and this degradation will be corrected for using a charge distortion model. ESA's Euclid mission will contain a focal plane of 36 CCDs in the VIS instrument. Moving further forwards, the World Space Observatory (WSO) UV spectrographs and the WFIRST-AFTA coronagraph intend to look at very faint sources in which mitigating the impact of traps on the transfer of single electron signals will be of great interest. Following the development of novel experimental and analysis techniques, one is now able to study the impact of radiation on the detector to new levels of detail. Through a combination of TCAD simulations, defect studies and device testing, we are now probing the interaction of single electrons with individual radiation-induced traps to analyse the impact of radiation in photon-starved applications.

Band-bending induced by charged defects and edges of atomically thin transition metal dichalcogenide films

NASA Astrophysics Data System (ADS)

Le Quang, T.; Nogajewski, K.; Potemski, M.; Dau, M. T.; Jamet, M.; Mallet, P.; Veuillen, J.-Y.

2018-07-01

We report scanning tunneling microscopy/spectroscopy (STM/STS) investigations of the band-bending in the vicinity of charged point defects and edges of monolayer MoSe2 and mono- and trilayer WSe2 films deposited on graphitized silicon carbide substrates. By tracing the spatial evolution of the structures of the STS spectra, we evaluate the magnitude and the extent of the band-bending to be equal to few hundreds milielectronvolts and several nanometres, respectively. With the aid of a simple electrostatic model, we show that the spatial variation of the Coulomb potential close to the film edges can be well reproduced by taking into account the metallic screening by graphene. Additionally, the analysis of our data for trilayer WSe2 provides reasonable estimations of its dielectric constant () and of the magnitude of the charge trapped at the defect site (Q  =  +e).

First-principles study of intrinsic vacancy defects in Sr2MgSi2O7 phosphorescent host material

NASA Astrophysics Data System (ADS)

Duan, H.; Dong, Y. Z.; Huang, Y.; Hu, Y. H.; Chen, X. S.

2016-01-01

Electronic structures of intrinsic vacancy defects in Sr2MgSi2O7 phosphorescent host material are investigated using first-principles calculations. Si vacancies are too high in energy to play any role in the persistent luminescence of Sr2MgSi2O7 phosphor. Mg vacancies form easier than Sr vacancies as a result of strain relief. Among all the vacancies, O1 vacancies stand out as a likely candidate because they are the most favorable in energy and introduce an empty triply degenerate state just below the CBM and a fully-occupied singlet state at ~1 eV above the VBM, constituting in this case effective hole trap level and electron trap levels, respectively. Mg vacancies are unlikely to explain the persistent luminescence because of its too shallow electron trap level but they may compensate the hole trap associated with O1 vacancies. We yield consistent evidence for the defect physics of these vacancy defects on the basis of the equilibrium properties of Sr2MgSi2O7, total-energy calculations, and electronic structures. The persistent luminescence mechanism of Sr2MgSi2O7:Eu2+, Dy3+ phosphor is also discussed based on our results for O1 vacancies trap center. Our results provide a guide to more refined experiments to control intrinsic traps, whereby probing synthetic strategies toward new improved phosphors.

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

DOE PAGES

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

2016-10-04

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

Generic equilibration dynamics of planar defects in trapped atomic superfluids

DOE PAGES

Scherpelz, Peter; Padavić, Karmela; Murray, Andy; ...

2015-03-18

Here, we investigate equilibration processes shortly after sudden perturbations are applied to ultracold trapped superfluids. We show the similarity of phase imprinting and localized density depletion perturbations, both of which initially are found to produce “phase walls”. These planar defects are associated with a sharp gradient in the phase. Importantly they relax following a quite general sequence. Our studies, based on simulations of the complex time-dependent Ginzburg-Landau equation, address the challenge posed by these experiments: how a superfluid eventually eliminatesa spatially extended planar defect. The processes involved are necessarily more complex than equilibration involving simpler line vortices. An essential mechanismmore » form relaxation involves repeated formation and loss of vortex rings near the trap edge.« less

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

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

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

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

Trapping behavior of Shockley-Read-Hall recombination centers in silicon solar cells

NASA Astrophysics Data System (ADS)

Gogolin, R.; Harder, N. P.

2013-08-01

We investigate the correlation between increased apparent carrier lifetime in photoconductance-based lifetime measurements and actually reduced recombination lifetime as measured by photoluminescence measurements. These findings are further reconfirmed by I-V curve measurements of solar cells. In particular, we show experimental results for lifetime samples and solar cells with and without hydrogen passivation. In the samples and solar cells without hydrogen passivation, we find both a stronger trapping behavior and a lower recombination lifetime. Our model provides a consistent description of the observation of both, the increased apparent lifetime from carrier trapping and the decreasing recombination lifetime. In our model, both are caused by a single physical mechanism; i.e., by Recombination-Active-Trap (RAT) states. Upon fitting the experimental lifetime data, we find that the RAT-defect parameters for the hydrogen-passivated and non-hydrogen-passivated lifetime samples and solar cells are identical except for the defect concentration: hydrogen-passivation reduced the defect density by 50% in both, the lifetime samples and solar cells. We conclude that trapping should be considered as an indication for hidden, yet potentially strongly increased, low injection recombination activity.

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

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

Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki

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

Electrical characterisation of defects in wide bandgap semiconductors

NASA Astrophysics Data System (ADS)

Elsherif, Osama S.

Defects usually have a very large influence on the semiconductor material properties and hence on fabricated electronic devices. The nature and properties of defects in semiconducting materials can be investigated by applying electrical characterization techniques such as thermal admittance spectroscopy (TAS), deep level transient spectroscopy (DLTS) and high resolution Laplace-DLTS measurements. This dissertation presents the electrical characterisation of two different wide bandgap semiconducting materials (polycrystalline diamond and GaN) which have both recently attracted a great deal of attention because of their potential applications in the fields of power electronics and optoelectronics. Raman spectroscopy, I-V and C-V measurements were carried out as supporting experiments for the above investigations. The first part of this work focuses on studying the effect of B concentration on the electronic states in polycrystalline diamond thin films grown on silicon by the hot filament chemical vapour deposition method. A combination of high-resolution LDLTS and direct-capture cross-section measurements was used to investigate whether the deep electronic states present in the layers originated from point or extended defects. There was good agreement between data on deep electronic levels obtained from DLTS and TAS experiments. A number of hole traps have been detected; the majority of these levels show an unusual dependence of the DLTS signal on the fill pulse duration which is interpreted as possibly the levels are part of extended defects within the grain boundaries. In contrast, a defect level found in a more highly doped film, with an activation energy of -0.37 eV, exhibited behaviour characteristic of an isolated point defect, which we attribute to B-related centres in the bulk diamond, away from the dislocations. The second part of this thesis presents electrical measurements carried out at temperatures up to 450 K in order to study the electronic states associated with Mg in Mg-doped GaN films grown on sapphire by metalorganic vapour phase epitaxy, and to determine how these are affected by the threading dislocation density (TDD). Two different buffer layer schemes between the film and the sapphire substrate were used, giving rise to different TDDs in the GaN. Admittance spectroscopy of the films finds a single impurity-related acceptor level. It is observed in theses experiments that admittance spectroscopy detects no traps that can be attributed to extended defects, despite the fact that the dislocations are well-known to be active recombination centres. This unexpected finding is discussed in detail.

Electrical characterisation of defects in wide bandgap semiconductors

NASA Astrophysics Data System (ADS)

Elsherif, Osama S.

Defects usually have a very large influence on the semiconductor material properties and hence on fabricated electronic devices. The nature and properties of defects in semiconducting materials can be investigated by applying electrical characterization techniques such as thermal admittance spectroscopy (TAS), deep level transient spectroscopy (DLTS) and high resolution Laplace-DLTS measurements. This dissertation presents the electrical characterisation of two different wide bandgap semiconducting materials (polycrystalline diamond and GaN) which have both recently attracted a great deal of attention because of their potential applications in the fields of power electronics and optoelectronics. Raman spectroscopy, I-V and C-V measurements were carried out as supporting experiments for the above investigations.The first part of this work focuses on studying the effect of B concentration on the electronic states in polycrystalline diamond thin films grown on silicon by the hot filament chemical vapour deposition method. A combination of high-resolution LDLTS and direct-capture cross-section measurements was used to investigate whether the deep electronic states present in the layers originated from point or extended defects. There was good agreement between data on deep electronic levels obtained from DLTS and TAS experiments. A number of hole traps have been detected; the majority of these levels show an unusual dependence of the DLTS signal on the fill pulse duration which is interpreted as possibly the levels are part of extended defects within the grain boundaries. In contrast, a defect level found in a more highly doped film, with an activation energy of -0.37 eV, exhibited behaviour characteristic of an isolated point defect, which we attribute to B-related centres in the bulk diamond, away from the dislocations.The second part of this thesis presents electrical measurements carried out at temperatures up to 450 K in order to study the electronic states associated with Mg in Mg-doped GaN films grown on sapphire by metalorganic vapour phase epitaxy, and to determine how these are affected by the threading dislocation density (TDD). Two different buffer layer schemes between the film and the sapphire substrate were used, giving rise to different TDDs in the GaN. Admittance spectroscopy of the films finds a single impurity-related acceptor level. It is observed in theses experiments that admittance spectroscopy detects no traps that can be attributed to extended defects, despite the fact that the dislocations are well-known to be active recombination centres. This unexpected finding is discussed in detail.

Deep levels in as-grown and electron-irradiated n-type GaN studied by deep level transient spectroscopy and minority carrier transient spectroscopy

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

Duc, Tran Thien; School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet Road, Hanoi; Pozina, Galia

2016-03-07

Development of high performance GaN-based devices is strongly dependent on the possibility to control and understand defects in material. Important information about deep level defects is obtained by deep level transient spectroscopy and minority carrier transient spectroscopy on as-grown and electron irradiated n-type bulk GaN with low threading dislocation density produced by halide vapor phase epitaxy. One hole trap labelled H1 (E{sub V} + 0.34 eV) has been detected on as-grown GaN sample. After 2 MeV electron irradiation, the concentration of H1 increases and at fluences higher than 5 × 10{sup 14 }cm{sup −2}, a second hole trap labelled H2 is observed. Simultaneously, the concentration of twomore » electron traps, labelled T1 (E{sub C} – 0.12 eV) and T2 (E{sub C} – 0.23 eV), increases. By studying the increase of the defect concentration versus electron irradiation fluence, the introduction rate of T1 and T2 using 2 MeV- electrons was determined to be 7 × 10{sup −3 }cm{sup −1} and 0.9 cm{sup −1}, respectively. Due to the low introduction rate of T1, it is suggested that the defect is associated with a complex. The high introduction rate of trap H1 and T2 suggests that the defects are associated with primary intrinsic defects or complexes. Some deep levels previously observed in irradiated GaN layers with higher threading dislocation densities are not detected in present investigation. It is therefore suggested that the absent traps may be related to primary defects segregated around dislocations.« less

Native hole trap in bulk GaAs and its association with the double-charge state of the arsenic antisite defect

NASA Technical Reports Server (NTRS)

Lagowski, J.; Lin, D. G.; Chen, T.-P.; Skowronski, M.; Gatos, H. C.

1985-01-01

A dominant hole trap has been identified in p-type bulk GaAs employing deep level transient and photocapacitance spectroscopies. The trap is present at a concentration up to about 4 x 10 to the 16th per cu cm, and it has two charge states with energies 0.54 + or - 0.02 and 0.77 + or - 0.02 eV above the top of the valence band (at 77 K). From the upper level the trap can be photoexcited to a persistent metastable state just as the dominant midgap level, EL2. Impurity analysis and the photoionization characteristics rule out association of the trap with impurities Fe, Cu, or Mn. Taking into consideration theoretical results, it appears most likely that the two charge states of the trap are the single and double donor levels of the arsenic antisite As(Ga) defect.

Energetic mapping of oxide traps in MoS2 field-effect transistors

NASA Astrophysics Data System (ADS)

Illarionov, Yury Yu; Knobloch, Theresia; Waltl, Michael; Rzepa, Gerhard; Pospischil, Andreas; Polyushkin, Dmitry K.; Furchi, Marco M.; Mueller, Thomas; Grasser, Tibor

2017-06-01

The performance of MoS2 transistors is strongly affected by charge trapping in oxide traps with very broad distributions of time constants. These defects degrade the mobility and additionally lead to the hysteresis of the gate transfer characteristics, which presents a crucial performance and reliability issue for these new technologies. Here we perform a detailed study of the hysteresis in double-gated MoS2 FETs and show that this issue is nothing else than a combination of threshold voltage shifts resulting from positive and negative bias-temperature instabilities. While these instabilities are well known from silicon devices, they are even more important in 2D devices given the considerably larger defect densities. Most importantly, the magnitudes of these threshold voltage shifts depend strongly on the density and energetic alignment of the active oxide traps. Based on this, we introduce the incremental hysteresis sweep method which allows for an accurate mapping of these defects and extract their energy distributions from simulations. By applying our method to analyze the impact of oxide traps situated in the Al2O3 top gate of several devices, we confirm its versatility. Since all 2D devices investigated so far suffer from a similar hysteresis behavior, the incremental hysteresis sweep method provides a unique and powerful way for the detailed characterization of their defect bands.

Optical patterning of trapped charge in nitrogen-doped diamond

NASA Astrophysics Data System (ADS)

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B.; Albu, Remus; Doherty, Marcus W.; Meriles, Carlos A.

2016-08-01

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories.

Optical patterning of trapped charge in nitrogen-doped diamond.

PubMed

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B; Albu, Remus; Doherty, Marcus W; Meriles, Carlos A

2016-08-30

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories.

Optical patterning of trapped charge in nitrogen-doped diamond

PubMed Central

Jayakumar, Harishankar; Henshaw, Jacob; Dhomkar, Siddharth; Pagliero, Daniela; Laraoui, Abdelghani; Manson, Neil B.; Albu, Remus; Doherty, Marcus W.; Meriles, Carlos A.

2016-01-01

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be attained by optical excitation. Here, we use two-colour optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs, and to subsequently probe the corresponding redistribution of charge. We uncover the formation of spatial patterns of trapped charge, which we qualitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects. Further, by using the NV as a probe, we map the relative fraction of positively charged nitrogen on localized optical excitation. These observations may prove important to transporting quantum information between NVs or to developing three-dimensional, charge-based memories. PMID:27573190

Passivation and Depassivation of Defects in Graphene-based field-effect transistors

NASA Astrophysics Data System (ADS)

O'Hara, Andrew; Wang, Pan; Perini, Chris J.; Fleetwood, Daniel M.; Vogel, Eric M.; Pantelides, Sokrates T.

Field effect transistors based on graphene on amorphous SiO2 substrates were fabricated, both with and without a top oxide passivation layer of Al2O3. Initial I-V characteristics of these devices show that the Fermi energy occurs below the Dirac point in graphene (i.e. p-type behavior). Introduction of environmental stresses, e.g. baking the devices, causes a shift in the Fermi energy relative to the Dirac point. 1/f noise measurements indicate the presence of charge trapping defects. In order to find the origins of this behavior, we construct atomistic models of the substrate/graphene interface and the graphene/oxide passivation layer interface. Using density functional theory, we investigate the role that the introduction and removal of hydrogen and hydroxide passivants has on the electronic structure of the graphene layer as well as the relative energetics for these processes to occur in order to gain insights into the experimental results. Supported by DTRA: 1-16-0032 and NSF: ECCS-1508898.

Photoluminescence Dynamics of Aryl sp 3 Defect States in Single-Walled Carbon Nanotubes

DOE PAGES

Hartmann, Nicolai F.; Velizhanin, Kirill A.; Haroz, Erik H.; ...

2016-08-16

Photoluminescent defect states introduced by sp 3 functionalization of semiconducting carbon nanotubes are rapidly emerging as important routes for boosting emission quantum yields and introducing new functionality. Knowledge of the relaxation dynamics of these states is required for understanding how functionalizing agents (molecular dopants) may be designed to access specific behaviors. We measure photoluminescence (PL) decay dynamics of sp 3 defect states introduced by aryl functionalization of the carbon nanotube surface. Results are given for five different nanotube chiralities, each doped with a range of aryl functionality. We find the PL decays of these sp 3 defect states are biexponential,more » with both components relaxing on timescales of ~ 100 ps. Exciton trapping at defects is found to increases PL lifetimes by a factor of 5-10, in comparison to those for the free exciton. A significant chirality dependence is observed in the decay times, ranging from 77 ps for (7,5) nanotubes to > 600 ps for (5,4) structures. The strong correlation of time constants with emission energy indicates relaxation occurs via multiphonon decay processes, with close agreement to theoretical expectations. Variation of the aryl dopant further modulates decay times by 10-15%. The aryl defects also affect PL lifetimes of the free E 11 exciton. Shortening of the E 11 bright state lifetime as defect density increases provides further confirmation that defects act as exciton traps. A similar shortening of the E11 dark exciton lifetime is found as defect density increases, providing strong experimental evidence that dark excitons are also trapped at such defect sites.« less

Photoluminescence Dynamics of Aryl sp 3 Defect States in Single-Walled Carbon Nanotubes

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

Hartmann, Nicolai F.; Velizhanin, Kirill A.; Haroz, Erik H.

Photoluminescent defect states introduced by sp 3 functionalization of semiconducting carbon nanotubes are rapidly emerging as important routes for boosting emission quantum yields and introducing new functionality. Knowledge of the relaxation dynamics of these states is required for understanding how functionalizing agents (molecular dopants) may be designed to access specific behaviors. We measure photoluminescence (PL) decay dynamics of sp 3 defect states introduced by aryl functionalization of the carbon nanotube surface. Results are given for five different nanotube chiralities, each doped with a range of aryl functionality. We find the PL decays of these sp 3 defect states are biexponential,more » with both components relaxing on timescales of ~ 100 ps. Exciton trapping at defects is found to increases PL lifetimes by a factor of 5-10, in comparison to those for the free exciton. A significant chirality dependence is observed in the decay times, ranging from 77 ps for (7,5) nanotubes to > 600 ps for (5,4) structures. The strong correlation of time constants with emission energy indicates relaxation occurs via multiphonon decay processes, with close agreement to theoretical expectations. Variation of the aryl dopant further modulates decay times by 10-15%. The aryl defects also affect PL lifetimes of the free E 11 exciton. Shortening of the E 11 bright state lifetime as defect density increases provides further confirmation that defects act as exciton traps. A similar shortening of the E11 dark exciton lifetime is found as defect density increases, providing strong experimental evidence that dark excitons are also trapped at such defect sites.« less

Clues from defect photochemistry

NASA Astrophysics Data System (ADS)

De Angelis, Filippo; Petrozza, Annamaria

2018-05-01

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

Effect of annealing on the sub-bandgap, defects and trapping states of ZnO nanostructures

NASA Astrophysics Data System (ADS)

Wahyuono, Ruri Agung; Hermann-Westendorf, Felix; Dellith, Andrea; Schmidt, Christa; Dellith, Jan; Plentz, Jonathan; Schulz, Martin; Presselt, Martin; Seyring, Martin; Rettenmeyer, Markus; Dietzek, Benjamin

2017-02-01

Annealing treatment was applied to different mesoporous ZnO nanostructures prepared by wet chemical synthesis, i.e. nanoflowers (NFs), spherical aggregates (SPs), and nanorods (NRs). The sub-bandgap, defect properties as well as the trapping state characteristics after annealing were characterized spectroscopically, including ultrasensitive photothermal deflection spectroscopy (PDS), photoluminescence and photo-electrochemical methods. The comprehensive experimental analysis reveals that annealing alters both the bandgap and the sub-bandgap. The defect concentration and the density of surface traps in the ZnO nanostructures are suppressed upon annealing as deduced from photoluminescence and open-circuit voltage decay analysis. The photo-electrochemical investigations reveal that the surface traps dominate the near conduction band edge of ZnO and, hence, lead to high recombination rates when used in DSSCs. The density of bulk traps in ZnO SPs is higher than that in ZnO NFs and ZnO NRs and promote lower recombination loss between photoinjected electrons with the electrolyte-oxidized species on the surface. The highest power conversion efficiency of ZnO NFs-, ZnO SPs-, and ZnO NRs-based DSSC obtained in our system is 2.0, 4.5, and 1.8%, respectively.

Switching Oxide Traps

NASA Technical Reports Server (NTRS)

Oldham, Timothy R.

2003-01-01

We consider radiation-induced charge trapping in SiO2 dielectric layers, primarily from the point of view of CMOS devices. However, SiO2 insulators are used in many other ways, and the same defects occur in other contexts. The key studies, which determined the nature of the oxide charge traps, were done primarily on gate oxides in CMOS devices, because that was the main radiation problem in CMOS at one time. There are two major reviews of radiation-induced oxide charge trapping already in the literature, which discuss the subject in far greater detail than is possible here. The first of these was by McLean et al. in 1989, and the second, ten years later, was intended as an update, because of additional, new work that had been reported. Basically, the picture that has emerged is that ionizing radiation creates electron-hole pairs in the oxide, and the electrons have much higher mobility than the holes. Therefore, the electrons are swept out of the oxide very rapidly by any field that is present, leaving behind any holes that escape the initial recombination process. These holes then undergo a polaron hopping transport toward the Si/SiO2 interface (under positive bias). Near the interface, some fraction of them fall into deep, relatively stable, long-lived hole traps. The nature and annealing behavior of these hole traps is the main focus of this paper.

Positron lifetime studies of defect structures in Ba(1-x)K(x)BiO3

NASA Astrophysics Data System (ADS)

Obrien, J. C.; Howell, R. H.; Radousky, H. B.; Sterne, P. A.; Hinks, D. G.; Folkerts, T. J.; Shelton, R. N.

1990-12-01

Temperature-dependent positron lifetime experiments have been performed from room temperature to cryogenic temperatures on Ba(1-x)K(x)BiO3, for x = 0.4 and 0.5. From the temperature dependence of the positron lifetime in the normal state, we observe a clear signature of competition between separate defect populations to trap the positron. Theoretical calculations of lifetimes of free or trapped positrons have been performed on Ba(1-x)K(x)BiO3, to help identify these defects. Lifetime measurements separated by long times have been performed and evidence of aging effects in the sample defect populations is seen in these materials.

Positron annihilation studies of vacancy related defects in ceramic and thin film Pb(Zr,Ti)O3 materials

NASA Astrophysics Data System (ADS)

Keeble, D. J.; Krishnan, A.; Umlor, M. T.; Lynn, K. G.; Warren, W. L.; Dimos, D.; Tuttle, B. A.

Preliminary positron annihilation studies of ceramic and thin film Pb(Zr,Ti)O3 (PZT) materials have been completed. This paper examines effects of processing conditions on vacancy related defects. Positron lifetime measurements on bulk PLZT plates showed an increase in positron trapping to a defect state with increasing grain size consistent with trapping to lead vacancy related defects formed through lead oxide loss during processing. Variable energy positron beam measurements were completed on bulk PLZT plates, sol-gel PZT thin films, and laser ablated PLZT thin films. Films processed in a reduced oxygen atmosphere were found to give a higher S-parameter, due to an increase in concentration of neutral or negatively charged vacancy type defects, compared with material processed in an oxidizing ambient.

The influence of coordinated defects on inhomogeneous broadening in cubic lattices

NASA Astrophysics Data System (ADS)

Matheson, P. L.; Sullivan, Francis P.; Evenson, William E.

2016-12-01

The joint probability distribution function (JPDF) of electric field gradient (EFG) tensor components in cubic materials is dominated by coordinated pairings of defects in shells near probe nuclei. The contributions from these inner shell combinations and their surrounding structures contain the essential physics that determine the PAC-relevant quantities derived from them. The JPDF can be used to predict the nature of inhomogeneous broadening (IHB) in perturbed angular correlation (PAC) experiments by modeling the G 2 spectrum and finding expectation values for V zz and η. The ease with which this can be done depends upon the representation of the JPDF. Expanding on an earlier work by Czjzek et al. (Hyperfine Interact. 14, 189-194, 1983), Evenson et al. (Hyperfine Interact. 237, 119, 2016) provide a set of coordinates constructed from the EFG tensor invariants they named W 1 and W 2. Using this parameterization, the JPDF in cubic structures was constructed using a point charge model in which a single trapped defect (TD) is the nearest neighbor to a probe nucleus. Individual defects on nearby lattice sites pair with the TD to provide a locus of points in the W 1- W 2 plane around which an amorphous-like distribution of probability density grows. Interestingly, however, marginal, separable PDFs appear adequate to model IHB relevant cases. We present cases from simulations in cubic materials illustrating the importance of these near-shell coordinations.

Transport of triplet excitons along continuous 100 nm polyfluorene chains

DOE PAGES

Xi, Liang; Bird, Matthew; Mauro, Gina; ...

2014-12-03

Triplet excitons created in poly-2,7-(9,9-dihexyl)fluorene (pF) chains with end trap groups in solution are efficiently transported to and captured by the end groups. The triplets explore the entire lengths of the chains, even for ~100 nm long chains enabling determination of the completeness of end capping. The results show that the chains continuous: they may contain transient barriers or traps, such as those from fluctuations of dihedral angles, but are free of major defects that stop motion of the triplets. Quantitative determinations are aided by the addition of a strong electron donor, TMPD, which removes absorption bands of the end-trappedmore » triplets. For chains having at least one end trap, triplet capture is quantitative on the 1 µs timescale imposed by the use of the donor. Fractions of chains having no end traps were 0.15 for pF samples with anthraquinone (AQ) end traps and 0.063 with naphthylimide (NI) end traps. These determinations agreed with measurements by NMR for short (<40 polymer repeat units (PRU)) chains, where NMR determinations are accurate. The results find no evidence for traps or barriers to transport of triplets, and places limits on the possible presence of defects as impenetrable barriers to less than one per 300 PRU. The present results present a paradigm different from the current consensus, derived from observations of singlet excitons, that conjugated chains are divided into “segments,” perhaps by some kind of defects. For the present pF chains, the segmentation either does not apply to triplet excitons or is transient so that the defects are healed or surmounted in times much shorter than 1 µs. Triplets on chains without end trap groups transfer to chains with end traps on a slower time scale. Rate constants for these bimolecular triplet transfer reactions were found to increase with the length of the accepting chain, as did rate constants for triplet transfer to the chains from small molecules like biphenyl. As a result, a second set of polyfluorenes with 2-butyloctyl side chains was found to have a much lower completeness of end capping.« less

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

Xi, Liang; Bird, Matthew; Mauro, Gina

Triplet excitons created in poly-2,7-(9,9-dihexyl)fluorene (pF) chains with end trap groups in solution are efficiently transported to and captured by the end groups. The triplets explore the entire lengths of the chains, even for ~100 nm long chains enabling determination of the completeness of end capping. The results show that the chains continuous: they may contain transient barriers or traps, such as those from fluctuations of dihedral angles, but are free of major defects that stop motion of the triplets. Quantitative determinations are aided by the addition of a strong electron donor, TMPD, which removes absorption bands of the end-trappedmore » triplets. For chains having at least one end trap, triplet capture is quantitative on the 1 µs timescale imposed by the use of the donor. Fractions of chains having no end traps were 0.15 for pF samples with anthraquinone (AQ) end traps and 0.063 with naphthylimide (NI) end traps. These determinations agreed with measurements by NMR for short (<40 polymer repeat units (PRU)) chains, where NMR determinations are accurate. The results find no evidence for traps or barriers to transport of triplets, and places limits on the possible presence of defects as impenetrable barriers to less than one per 300 PRU. The present results present a paradigm different from the current consensus, derived from observations of singlet excitons, that conjugated chains are divided into “segments,” perhaps by some kind of defects. For the present pF chains, the segmentation either does not apply to triplet excitons or is transient so that the defects are healed or surmounted in times much shorter than 1 µs. Triplets on chains without end trap groups transfer to chains with end traps on a slower time scale. Rate constants for these bimolecular triplet transfer reactions were found to increase with the length of the accepting chain, as did rate constants for triplet transfer to the chains from small molecules like biphenyl. As a result, a second set of polyfluorenes with 2-butyloctyl side chains was found to have a much lower completeness of end capping.« less

Intrinsic defects and spectral characteristics of SrZrO3 perovskite

NASA Astrophysics Data System (ADS)

Li, Zhenzhang; Duan, He; Jin, Yahong; Zhang, Shaoan; Lv, Yang; Xu, Qinfang; Hu, Yihua

2018-04-01

First-principles calculations and experiment analysis were performed to study the internal relation between seven types of intrinsic defects and the persistent luminescence in SrZrO3 host material. The calculation shows that rich zirconium defects have the low energy cost and thus are easy to form. Zr vacancies are too high energy to play any role in defect which is related luminescence phenomenon of SrZrO3 phosphor. However, oxygen vacancies stand out as a likely candidate, because it can yield two carrier reservoirs: a fully-occupied singlet electron's reservoir which lies above the valence band maximum, and an empty triply degenerate hole's reservoir which is just below the conduction band minimum. Sr vacancies are not directly relevant to the persistent luminescence due to its too shallow electron trap level. The characteristics of these defects are fully explained by the equilibrium properties of SrZrO3. An experimental study of the thermoluminescence glow for these defects is conducted and the calculation is consistent with the experimental results. A mechanism of the persistent luminescence for SrZrO3:Pr3+, Eu3+ is explained according to oxygen vacancies trap center. Findings of this study may serve as theoretical references for controlling intrinsic traps by more refined experiments.

Paramagnetic defects and charge trapping behavior of ZrO2 films deposited on germanium by plasma-enhanced CVD

NASA Astrophysics Data System (ADS)

Mahata, C.; Bera, M. K.; Bose, P. K.; Maiti, C. K.

2009-02-01

Internal photoemission and magnetic resonance studies have been performed to investigate the charge trapping behavior and chemical nature of defects in ultrathin (~14 nm) high-k ZrO2 dielectric films deposited on p-Ge (1 0 0) substrates at low temperature (<200 °C) by plasma-enhanced chemical vapor deposition (PECVD) in a microwave (700 W, 2.45 GHz) plasma at a pressure of ~65 Pa. Both the band and defect-related electron states have been characterized using electron paramagnetic resonance, internal photoemission, capacitance-voltage and current-voltage measurements under UV illumination. Capacitance-voltage and photocurrent-voltage measurements were used to determine the centroid of oxide charge within the high-k gate stack. The observed shifts in photocurrent response of the Al/ZrO2/GeO2/p-Ge metal-insulator-semiconductor (MIS) capacitors indicate the location of the centroids to be within the ZrO2 dielectric near to the gate electrode. Moreover, the measured flat band voltage and photocurrent shifts also indicate a large density of traps in the dielectric. The impact of plasma nitridation on the interfacial quality of the oxides has been investigated. Different N sources, such as NO and NH3, have been used for nitrogen engineering. Oxynitride samples show a lower defect density and trapping over the non-nitrided samples. The charge trapping and detrapping properties of MIS capacitors under stressing in constant current and voltage modes have been investigated in detail.

Tritium release from neutron-irradiated Li 2O sintered pellets: porosity dependence

NASA Astrophysics Data System (ADS)

Tanifuji, Takaaki; Yamaki, Daiju; Takahashi, Tadashi; Iwamoto, Akira

2000-12-01

The tritium release behaviour from sintered Li 2O pellets of various densities (71-98.5% theoretical density, T.D.) has been investigated by heating tests at a constant rate. It is shown that the tritium release rate depends on porosity at densities above 87% T.D., while no dependence was observed at densities below 86% T.D. The tritium release process is thought to consist of three stages described as follows: (1) the liberation of tritium trapped at point defects due to their recovery (peak at around 570 K); (2) the advection through interconnected pores via adsorption and desorption on their inner walls and diffusion in the gas phase of interconnected pores (peak at around 620 K); (3) the dissolution and release of tritium trapped in closed pores (peaks at around 700, 830 and 1000 K).

A General Qualitative Study of Point and Extended Defects and Their Interactions in Non-Metallic Systems.

DTIC Science & Technology

1987-12-31

4758 (1982). 140. A. B. Kunz and J. T. Waber, Concerning the Trapping of Positrons in Ionic Solids, in Positron Annihilation , P. G. Coleman, S. C...than in "clear" specimens of this material. In view of these results, we have undertaken an ESR study of both "clear" (Norton Company) MgO and...34cloudy" (Super Refractories) MgO . The abbreviated results and conclusions of our study on these two I specimens of magnesium oxide are a result of

Defective TiO 2 with high photoconductive gain for efficient and stable planar heterojunction perovskite solar cells

DOE PAGES

Li, Yanbo; Cooper, Jason K.; Liu, Wenjun; ...

2016-08-18

Formation of planar heterojunction perovskite solar cells exhibiting both high efficiency and stability under continuous operation remains a challenge. Here, we show this can be achieved by using a defective TiO 2 thin film as the electron transport layer. TiO 2 layers with native defects are deposited by electron beam evaporation in an oxygen-deficient environment. Deep-level hole traps are introduced in the TiO 2 layers and contribute to a high photoconductive gain and reduced photocatalytic activity. The high photoconductivity of the TiO 2 electron transport layer leads to improved efficiency for the fabricated planar devices. A maximum power conversion efficiencymore » of 19.0% and an average PCE of 17.5% are achieved. In addition, the reduced photocatalytic activity of the TiO 2 layer leads to enhanced long-Term stability for the planar devices. Under continuous operation near the maximum power point, an efficiency of over 15.4% is demonstrated for 100 h.« less

A major defect in mast cell effector functions in CRACM1-/- mice

PubMed Central

Vig, Monika; Dehaven, Wayne I; Bird, Gary S; Billingsley, James M; Wang, Huiyun; Rao, Patricia E; Hutchings, Amy B; Jouvin, Marie-Hélène; Putney, James W; Kinet, Jean-Pierre

2008-01-01

CRACM1 (Orai1) constitutes the pore subunit of CRAC channels that are crucial for many physiological processes 1-6. A point mutation in CRACM1 has been associated with SCID disease in humans 2. We have generated CRACM1 deficient mice using gene trap, where β-galactosidase (LacZ) activity identifies CRACM1 expression in tissues. We show here that the homozygous CRACM1 deficient mice are considerably smaller in size and are grossly defective in mast cell degranulation and cytokine secretion. FcεRI-mediated in vivo allergic reactions were also inhibited in CRACM1-/- mice. Other tissues expressing truncated CRACM1-LacZ fusion protein include skeletal muscles, kidney and regions in the brain and heart. Surprisingly, no CRACM1 expression was seen in the lymphoid regions of thymus. Accordingly, we found no defect in T cell development. Thus, our data reveal novel crucial roles for CRAC channels including a putative role in excitable cells. PMID:18059270

Measuring long-range carrier diffusion across multiple grains in polycrystalline semiconductors by photoluminescence imaging

PubMed Central

Alberi, K.; Fluegel, B.; Moutinho, H.; Dhere, R. G.; Li, J. V.; Mascarenhas, A.

2013-01-01

Thin-film polycrystalline semiconductors are currently at the forefront of inexpensive large-area solar cell and integrated circuit technologies because of their reduced processing and substrate selection constraints. Understanding the extent to which structural and electronic defects influence carrier transport in these materials is critical to controlling the optoelectronic properties, yet many measurement techniques are only capable of indirectly probing their effects. Here we apply a novel photoluminescence imaging technique to directly observe the low temperature diffusion of photocarriers through and across defect states in polycrystalline CdTe thin films. Our measurements show that an inhomogeneous distribution of localized defect states mediates long-range hole transport across multiple grain boundaries to locations exceeding 10 μm from the point of photogeneration. These results provide new insight into the key role deep trap states have in low temperature carrier transport in polycrystalline CdTe by revealing their propensity to act as networks for hopping conduction. PMID:24158163

Cation vacancies in ferroelectric PbTiO3 and Pb(Zr,Ti)O3 : A positron annihilation lifetime spectroscopy study

NASA Astrophysics Data System (ADS)

Keeble, D. J.; Singh, S.; Mackie, R. A.; Morozov, M.; McGuire, S.; Damjanovic, D.

2007-10-01

Positron annihilation lifetime spectroscopy measurements identify A - and B -site cation vacancies in ferroelectric perovskite oxides (ABO3) . Crystal PbTiO3 and ceramic lead zirconium titanate (PZT) were studied and gave consistent values for the lifetime resulting from positron localization at lead vacancies VPb . Positron trapping to B -site vacancies was inferred in PZT. Temperature dependent studies showed that the defect specific trapping rate was higher for VB compared to VPb , consistent with the larger negative charge. Doping PZT with Fe increased the fraction positron trapping to VB compared to VPb -type defects.

Highly Efficient Defect Emission from ZnO:Zn and ZnO:S Powders

NASA Astrophysics Data System (ADS)

Everitt, Henry

2013-03-01

Bulk Zinc Oxide (ZnO) is a wide band gap semiconductor with an ultraviolet direct band gap energy of 3.4 eV and a broad, defect-related visible wavelength emission band centered near 2 eV. We have shown that the external quantum efficiency can exceed 50% for this nearly white emission band that closely matches the human dark-adapted visual response. To explore the potential of ZnO as a rare earth-free white light phosphor, we investigated the mechanism of efficient defect emission in three types of ZnO powders: unannealed, annealed, and sulfur-doped. Annealing and sulfur-doping of ZnO greatly increase the strength of defect emission while suppressing the UV band edge emission. Continuous wave and ultrafast one- and two-photon excitation spectroscopy are used to examine the defect emission mechanism. Low temperature photoluminescence (PL) and PL excitation (PLE) spectra were measured for all three compounds, and it was found that bound excitons mediate the defect emission. Temperature-dependent PLE spectra for the defect and band edge emission were measured to estimate trapping and activation energies of the bound excitons and clarify the role they play in the defect emission. Time-resolved techniques were used to ascertain the role of exciton diffusion, the effects of reabsorption, and the spatial distributions of radiative and non-radiative traps. In unannealed ZnO we find that defect emission is suppressed and UV band edge emission is inefficient (< 2%) because of reabsorption and non-radiative recombination due to a high density of non-radiative bulk traps. By annealing ZnO, bulk trap densities are reduced, and a high density of defects responsible for the broad visible emission are created near the surface. Interestingly, nearly identical PLE spectra are found for both the band edge and the defect emission, one of many indications that the defect emission is deeply connected to bound excitons. Quantum efficiency, also measured as a function of excitation wavelength, closely mirrors the PLE spectra for both emission bands. Sulfur-doped ZnO exhibits additional PLE and X-ray features indicative of a ZnS-rich surface shell that correlates with even more efficient defect emission. The results presented here offer hope that engineering defects in ZnO materials may significantly improve the quantum efficiency for white light phosphor applications. This work was supported by the Army's in-house laboratory innovative research program.

Spectroscopic characterization of charged defects in polycrystalline pentacene by time- and wavelength-resolved electric force microscopy.

PubMed

Luria, Justin L; Schwarz, Kathleen A; Jaquith, Michael J; Hennig, Richard G; Marohn, John A

2011-02-01

Spatial maps of topography and trapped charge are acquired for polycrystalline pentacene thin-film transistors using electric and atomic force microscopy. In regions of trapped charge, the rate of trap clearing is studied as a function of the wavelength of incident radiation.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Optical patterning of trapped charge in nitrogen-doped diamond

NASA Astrophysics Data System (ADS)

Dhomkar, Siddharth; Jayakumar, Harishankar; Pagliero, Daniela; Laraoui, Abdelghani; Albu, Remus; Manson, Neil; Doherty, Marcus; Henshaw, Jacob; Meriles, Carlos

The nitrogen-vacancy (NV) center in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge state, which can be attained by optical illumination. Here we use two-color optical microscopy to investigate the dynamics of NV photo-ionization, charge diffusion, and trapping in type-1b diamond. We combine fixed-point laser excitation and scanning fluorescence imaging to locally alter the concentration of negatively charged NVs and to subsequently probe the corresponding redistribution of charge. We uncover the formation of various spatial patterns of trapped charge, which we semi-quantitatively reproduce via a model of the interplay between photo-excited carriers and atomic defects in the diamond lattice. Further, by using the NV as a local probe, we map the relative fraction of positively charged nitrogen upon localized optical excitation. These observations may prove important to various technologies, including the transport of quantum information between remote NVs and the development of three-dimensional, charge-based memories. We acknowledge support from the National Science Foundation through Grant NSF-1314205.

Ultrafast photocarrier dynamics related to defect states of Si1-xGex nanowires measured by optical pump-THz probe spectroscopy.

PubMed

Bae, Jung Min; Lee, Woo-Jung; Jung, Seonghoon; Ma, Jin Won; Jeong, Kwang-Sik; Oh, Seung Hoon; Kim, Seongsin M; Suh, Dongchan; Song, Woobin; Kim, Sunjung; Park, Jaehun; Cho, Mann-Ho

2017-06-14

Slightly tapered Si 1-x Ge x nanowires (NWs) (x = 0.29-0.84) were synthesized via a vapor-liquid-solid procedure using Au as a catalyst. We measured the optically excited carrier dynamics of Si 1-x Ge x NWs as a function of Ge content using optical pump-THz probe spectroscopy. The measured -ΔT/T 0 signals of Si 1-x Ge x NWs were converted into conductivity in the THz region. We developed a fitting formula to apply to indirect semiconductors such as Si 1-x Ge x , which explains the temporal population of photo-excited carriers in the band structure and the relationship between the trapping time and the defect states on an ultrafast time scale. From the fitting results, we extracted intra- and inter-valley transition times and trapping times of electrons and holes of Si 1-x Ge x NWs as a function of Ge content. On the basis of theoretical reports, we suggest a physical model to interpret the trapping times related to the species of interface defect states located at the oxide/NW: substoichiometric oxide states of Si(Ge) 0+,1+,2+ , but not Si(Ge) 3+ , could function as defect states capturing photo-excited electrons or holes and could determine the different trapping times of electrons and holes depending on negatively or neutrally charged states.

Effect of antimony on the deep-level traps in GaInNAsSb thin films

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

Islam, Muhammad Monirul, E-mail: islam.monir.ke@u.tsukuba.ac.jp; Miyashita, Naoya; Ahsan, Nazmul

2014-09-15

Admittance spectroscopy has been performed to investigate the effect of antimony (Sb) on GaInNAs material in relation to the deep-level defects in this material. Two electron traps, E1 and E2 at an energy level 0.12 and 0.41 eV below the conduction band (E{sub C}), respectively, were found in undoped GaInNAs. Bias-voltage dependent admittance confirmed that E1 is an interface-type defect being spatially localized at the GaInNAs/GaAs interface, while E2 is a bulk-type defect located around mid-gap of GaInNAs layer. Introduction of Sb improved the material quality which was evident from the reduction of both the interface and bulk-type defects.

Positron annihilation spectroscopy for the determination of thickness and defect profile in thin semiconductor layers

NASA Astrophysics Data System (ADS)

Zubiaga, A.; García, J. A.; Plazaola, F.; Tuomisto, F.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

2007-05-01

We present a method, based on positron annihilation spectroscopy, to obtain information on the defect depth profile of layers grown over high-quality substrates. We have applied the method to the case of ZnO layers grown on sapphire, but the method can be very easily generalized to other heterostructures (homostructures) where the positron mean diffusion length is small enough. Applying the method to the ratio of W and S parameters obtained from Doppler broadening measurements, W/S plots, it is possible to determine the thickness of the layer and the defect profile in the layer, when mainly one defect trapping positron is contributing to positron trapping at the measurement temperature. Indeed, the quality of such characterization is very important for potential technological applications of the layer.

Thermal and Optical Characteristics of Defect Centers in Irradiated TLD-100 Dosimeters.

NASA Astrophysics Data System (ADS)

Sadeghi-Zamani, Hossein

Sensitivity loss of a sensitized LiF:Mg,Ti,Al (TLD-100) dosimeter subject to repeated standard 673 K thermal treatments has been a major problem in radiation dosimetry. The cause for this loss in radiation response of the dosimeters has not been understood. If a used TLD is not annealed at an elevated temperature prior to reuse, there are residual deep electron trap centers still present in the dosimeter. These defect centers will interact with new incoming radiation and produce thermoluminescent trap centers. This will introduce a significant error in low dose measurements. In this research, first, thermal and optical characteristics of various defect centers produced in an irradiated TLD-100 single crystal were investigated and then an improved pre-irradiation isothermal/optical treatment process was introduced to bleach the TLD dosimeters prior to reuse and reduce the loss of sensitivity of sensitized dosimeter. Thermoluminescent materials were irradiated by gamma-rays from Co-60 source to produce sufficient concentration of various defect centers, then the crystals were heated or exposed to UV light at different temperature to change the concentration of various defect centers. The change in concentration of each trap center was determined by measuring the change in absorbance of light at a fixed photon energy as a function of temperature. The thermal activation energy and the frequency factor for each trap center were evaluated assuming a first order kinetic model over a specified temperature range. The value of activation energy and the frequency factor for Z_2 ^', Z_2, Z_3, and F trap centers in TLD-100 single crystals were found to be 1.49 +/- 0.04 eV, 4.76 times 10 ^{15} sec^{ -1}, 2.23 +/- 0.02 eV, 1.65 times 10^{23 } sec^{-1}; 3.01 +/- 0.02 eV, 2.90 times 10^{17} sec ^{-1}; and 2.81 +/- 0.08 eV, 5.43 times 10 ^{17} sec^{ -1}; respectively. After a correlation was made between the trap centers and TL glow peaks, kinetic parameters obtained from absorption spectrum analysis were used to obtain a mathematical model describing different glow peaks.

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

NASA Astrophysics Data System (ADS)

Biswas, Koushik; Du, Mao-Hua

2011-03-01

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

Space charge measurement in a dielectric material after irradiation with a 30 kV electron beam: Application to single-crystals oxide trapping properties

NASA Astrophysics Data System (ADS)

Vallayer, B.; Blaise, G.; Treheux, D.

1999-07-01

When an insulating material is subjected to electron irradiation, it produces a secondary emission the yield of which varies from a few percent to very high values (up to 24 per incoming electron) depending on the material and the experimental conditions. If the secondary electron emission yield is less than one, a net negative charge remains trapped in the sample. In this case, the study of the electric charges trapping properties of the material becomes possible. This article describes how it is possible to use a secondary electron microscope (SEM) as a device to perform such a study. In Sec. II, the effect of a net negative trapped charge resulting (from the injection of typically 50 pC) on the imaging process of the SEM has been described. It has been shown that when the trapped charge is high enough, it acts as a mirror reflecting the incoming electron beam which is deflected somewhere in the vacuum chamber of the microscope. A global qualitative description of the image displayed on the screen is first presented. Then electron trajectories are quantitatively studied by using the Rutherford scattering cross section in the case of a point charge. When the charge is extended, a numeric simulation has been done in order to predict the validity range of the previous model. Once the trajectories have been calculated, the connection between the remarkable elements of the image and the quantity of trapped charges has been established. Moreover, this technique allows one to study the lateral dimension of the trapped charge zone and to measure the surface potential. In Sec. III, the discussion is first focused on some precautions to be taken concerning the sample preparation before the experiment is performed. It has been shown that surface defects due either to contamination layers or machining change the trapping properties of single-crystals ceramics such as MgO and Al2O3. A cleaning procedure is proposed that consists of annealing the sample at 1500 °C for 4 h in order to heal the crystalline defects and a heating at 400 °C in the vacuum chamber of the SEM to remove the contamination layers. Finally, the effect of the temperature on the trapping properties of pure and chromium doped sapphire has been studied in relation with the chromium concentration. It is shown that temperature behavior of trapping is in relation with the chromium concentration. In the pure sapphire trapping is activated below -16 °C, in 500 ppm rubis it is below -9.5 °C due to isolated chromium atoms, and in the 8000 ppm rubis the critical trapping temperature rises to 3.7 °C due to Cr3+ pairs. The interpretation of the role played by chromium on trapping is based on the experimental study of the fluorescence of chromium atoms and pairs as a function of concentration.

Effects produced by iodine irradiation on high resistivity silicon

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

Lazanu, S.; Slav, A.; Lepadatu, A.-M.

2012-12-10

The effects of 5 Multiplication-Sign 10{sup 11} cm{sup -26+}I{sup 127} ions of 28 MeV kinetic energy on high resistivity (100) Si were studied. The profile of primary defects was simulated. The defects produced by irradiation which act as traps were investigated. Thermally stimulated current measurements without externally applied bias were used, and for this the traps were charged by illuminating samples with 1000, 800, and 400 nm wavelengths. The discharge currents were recorded and modeled, and therefore the parameters of the traps were determined. The presence of I ions, heavier than Si, stopped into the target was modeled as amore » temperature independent electric field.« less

Probing vacancy-type free-volume defects in Li2B4O7 single crystal by positron annihilation lifetime spectroscopy

NASA Astrophysics Data System (ADS)

Shpotyuk, O.; Adamiv, V.; Teslyuk, I.; Ingram, A.; Demchenko, P.

2018-01-01

Vacancy-type free-volume defects in lithium tetraborate Li2B4O7 single crystal, grown by the Czochralski technique, are probed with positron annihilation spectroscopy in the lifetime measuring mode. The experimental positron lifetime spectrum is reconstructed within the three-component fitting, involving channels of positron and positronium Ps trapping, as well as within the two-component fitting with a positronium-compensating source input. Structural configurations of the most efficient positron traps are considered using the crystallographic specificity of lithium tetraborate with the main accent on cation-type vacancies. Possible channels of positron trapping are visualized using the electronic structure calculations with density functional theory at the basis of structural parameters proper to Li2B4O7. Spatially-extended positron-trapping complexes involving singly-ionized lithium vacancies, with character lifetime close to 0.32 ns, are responsible for positron trapping in the nominally undoped lithium tetraborate Li2B4O7 crystal.

Temperature dependence of trapping effects in metal gates/Al2O3/InGaAs stacks

NASA Astrophysics Data System (ADS)

Palumbo, F.; Pazos, S.; Aguirre, F.; Winter, R.; Krylov, I.; Eizenberg, M.

2017-06-01

The influence of the temperature on Metal Gate/Al2O3/n-InGaAs stacks has been studied by means of capacitance-voltage (C-V) hysteresis and flat band voltage as function of both negative and positive stress fields. It was found that the de-trapping effect decreases at low-temperature, indicating that the de-trapping of trapped electrons from oxide traps may be performed via Al2O3/InGaAs interface defects. The dependence of the C-V hysteresis on the stress field at different temperatures in our InGaAs stacks can be explained in terms of the defect spatial distribution. An oxide defect distribution can be found very close to the metal gate/Al2O3 interface. On the other side, the Al2O3/InGaAs interface presents defects distributed from the interface into the bulk of the oxide, showing the influence of InGaAs on Al2O3 in terms of the spatial defect distribution. At the present, he is a research staff of the National Council of Science and Technology (CONICET), working in the National Commission of Atomic Energy (CNEA) in Buenos Aires, Argentina, well embedded within international research collaboration. Since 2008, he is Professor at the National Technological University (UTN) in Buenos Aires, Argentina. Dr. Palumbo has received research fellowships from: Marie Curie Fellowship within the 7th European Community Framework Programme, Abdus Salam International Centre for Theoretical Physics (ICTP) Italy, National Council of Science and Technology (CONICET) Argentina, and Consiglio Nazionale delle Ricerche (CNR) Italy. He is also a frequent scientific visitor of academic institutions as IMM-CNR-Italy, Minatec Grenoble-France, the Autonomous University of Barcelona-Spain, and the Israel Institute of Technology-Technion. He has authored and co-authored more than 50 papers in international conferences and journals.

The influence of isomer purity on trap states and performance of organic thin-film transistors.

PubMed

Diemer, Peter J; Hayes, Jacori; Welchman, Evan; Hallani, Rawad; Pookpanratana, Sujitra J; Hacker, Christina A; Richter, Curt A; Anthony, John E; Thonhauser, Timo; Jurchescu, Oana D

2017-01-01

Organic field-effect transistor (OFET) performance is dictated by its composition and geometry, as well as the quality of the organic semiconductor (OSC) film, which strongly depends on purity and microstructure. When present, impurities and defects give rise to trap states in the bandgap of the OSC, lowering device performance. Here, 2,8-difluoro-5,11-bis(triethylsilylethynyl)-anthradithiophene is used as a model system to study the mechanism responsible for performance degradation in OFETs due to isomer coexistence. The density of trapping states is evaluated through temperature dependent current-voltage measurements, and it is discovered that OFETs containing a mixture of syn - and anti -isomers exhibit a discrete trapping state detected as a peak located at ~ 0.4 eV above the valence-band edge, which is absent in the samples fabricated on single-isomer films. Ultraviolet photoelectron spectroscopy measurements and density functional theory calculations do not point to a significant difference in electronic band structure between individual isomers. Instead, it is proposed that the dipole moment of the syn -isomer present in the host crystal of the anti -isomer locally polarizes the neighboring molecules, inducing energetic disorder. The isomers can be separated by applying gentle mechanical vibrations during film crystallization, as confirmed by the suppression of the peak and improvement in device performance.

Atomistic simulation of the trapping capability of He-vacancy defects at Ni {\\sum}^{}3\\left(1\\bar{1}2\\right)[110] grain boundary

NASA Astrophysics Data System (ADS)

Gong, Hengfeng; Wang, Chengbin; Zhang, Wei; Huai, Ping; Lu, Wei; Zhu, Zhiyuan

2016-12-01

He atoms tend to cluster and precipitate into bubbles that prefer to grow in the grain boundaries, resulting in high temperature He embrittlement with significantly degraded material properties. This is a major bottleneck in employing Ni-based alloys for applications such as molten salt reactors (MSRs). This paper focuses on understanding how the local grain boundary structure interacts with He atoms and how the local atomistic environment in the grain boundary influences the binding energy of He defects. Using molecular dynamics simulations, we have investigated the trapping capability of the Ni {\\sum}3≤ft(1 \\bar{1} 2\\right)≤ft[1 1 0\\right] grain boundary to He defects (He N ) and to He-vacancy defects (He N V M ). The two defects in the Ni grain boundary exhibit geometries with high symmetry. The binding energy of an interstitial He atom to He N V M defects is found to be generally larger in pure Ni than that in the grain boundary. We compared the binding energy of He N defects to the Ni vacancy and to the Ni grain boundary, finding that the Ni vacancy possesses a higher trapping strength to He N . We also found that the binding strength of He N to the grain boundary is stronger than that of He N V M to the grain boundary. The He-vacancy ratio in He N V M defects does not significantly affect the binding energy in the grain boundary plane. The current work will provide insight in understanding the experimentally observed He bubble formation in Ni-based alloys and bridge atomic scale events and damage with macroscopic failure.

Efficient Suppression of Defects and Charge Trapping in High Density In-Sn-Zn-O Thin Film Transistor Prepared using Microwave-Assisted Sputter.

PubMed

Goh, Youngin; Ahn, Jaehan; Lee, Jeong Rak; Park, Wan Woo; Ko Park, Sang-Hee; Jeon, Sanghun

2017-10-25

Amorphous oxide semiconductor-based thin film transistors (TFTs) have been considered as excellent switching elements for driving active-matrix organic light-emitting diodes (AMOLED) owing to their high mobility and process compatibility. However, oxide semiconductors have inherent defects, causing fast transient charge trapping and device instability. For the next-generation displays such as flexible, wearable, or transparent displays, an active semiconductor layer with ultrahigh mobility and high reliability at low deposition temperature is required. Therefore, we introduced high density plasma microwave-assisted (MWA) sputtering method as a promising deposition tool for the formation of high density and high-performance oxide semiconductor films. In this paper, we present the effect of the MWA sputtering method on the defects and fast charge trapping in In-Sn-Zn-O (ITZO) TFTs using various AC device characterization methodologies including fast I-V, pulsed I-V, transient current, low frequency noise, and discharge current analysis. Using these methods, we were able to analyze the charge trapping mechanism and intrinsic electrical characteristics, and extract the subgap density of the states of oxide TFTs quantitatively. In comparison to conventional sputtered ITZO, high density plasma MWA-sputtered ITZO exhibits outstanding electrical performance, negligible charge trapping characteristics and low subgap density of states. High-density plasma MWA sputtering method has high deposition rate even at low working pressure and control the ion bombardment energy, resulting in forming low defect generation in ITZO and presenting high performance ITZO TFT. We expect the proposed high density plasma sputtering method to be applicable to a wide range of oxide semiconductor device applications.

PAL spectroscopy of rare-earth doped Ga-Ge-Te/Se glasses

NASA Astrophysics Data System (ADS)

Shpotyuk, Ya.; Ingram, A.; Shpotyuk, O.

2016-04-01

Positron annihilation lifetime (PAL) spectroscopy was applied for the first time to study free-volume void evolution in chalcogenide glasses of Ga-Ge-Te/Se cut-section exemplified by glassy Ga10Ge15Te75 and Ga10Ge15Te72Se3 doped with 500 ppm of Tb3+ or Pr3+. The collected PAL spectra reconstructed within two-state trapping model reveal decaying tendency in positron trapping efficiency in these glasses under rare-earth doping. This effect results in unchanged or slightly increased defect-related lifetimes τ2 at the cost of more strong decrease in I2 intensities, as well as reduced positron trapping rate in defects and fraction of trapped positrons. Observed changes are ascribed to rare-earth activated elimination of intrinsic free volumes associated mainly with negatively-charged states of chalcogen atoms especially those neighboring with Ga-based polyhedrons.

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

NASA Astrophysics Data System (ADS)

Burgess, K.; Cooper, R. F.

2011-12-01

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

Metastable self-trapping of positrons in MgO

NASA Astrophysics Data System (ADS)

Monge, M. A.; Pareja, R.; González, R.; Chen, Y.

1997-01-01

Low-temperature positron annihilation measurements have been performed on MgO single crystals containing either cation or anion vacancies. The temperature dependence of the S parameter is explained in terms of metastable self-trapped positrons which thermally hop through the crystal lattice. The experimental results are analyzed using a three-state trapping model assuming transitions from both delocalized and self-trapped states to deep trapped states at vacancies. The energy level of the self-trapped state was determined to be (62+/-5) meV above the delocalized state. The activation enthalpy for the hopping process of self-trapped positrons appears to depend on the kind of defect present in the crystals.

Identification of microscopic hole-trapping mechanisms in nitride semiconductors

DOE PAGES

John L. Lyons; Krishnaswamy, Karthik; Luke Gordon; ...

2015-12-17

Hole trapping has been observed in nitride heterostructure devices, where the Fermi level is in the vicinity of the valence-band maximum. Using hybrid density functional calculations, we examine microscopic mechanisms for hole trapping in GaN and AlN. In a defect-free material, hole trapping does not spontaneously occur, but trapping can occur in the vicinity of impurities, such as C-a common unintentional impurity in nitrides. As a result, using Schrodinger-Poisson simulations, we assess the effects of C-derived hole traps on N-face high-electron mobility transistors, which we find to be more detrimental than the previously proposed interface traps.

Back-irradiation photonic sintering for defect-free high-conductivity metal patterns on transparent plastic

NASA Astrophysics Data System (ADS)

Kwak, Ji Hye; Chun, Su Jin; Shon, Chae-Hwa; Jung, Sunshin

2018-04-01

Photonic sintering has attracted considerable attention for printed electronics. It irradiates high-intensity light onto the front surface of metal nanoparticle patterns, which often causes defects such as delamination, cavities, and cracks in the patterns. Here, a back-irradiation photonic sintering method is developed for obtaining defect-free high-conductivity metal patterns on a transparent plastic substrate, through which high-intensity light is irradiated onto the back surface of the patterns for a few milliseconds. Ag patterns back-irradiated with ˜10.0 J cm-2 are defect-free in contrast to front-irradiated patterns and exhibited an electrical conductivity of ˜2.3 × 107 S m-1. Furthermore, real-time high-speed observation reveals that the mechanisms that generate defects in the front-irradiated patterns and prevent defects in the back-irradiated patterns are closely related to vapor trapping. In contrast to the latter, in the former, vapor is trapped and delaminates the patterns from the substrate because the front of the patterns acts as a barrier to vapor venting.

Object kinetic Monte Carlo model for neutron and ion irradiation in tungsten: Impact of transmutation and carbon impurities

NASA Astrophysics Data System (ADS)

Castin, N.; Bonny, G.; Bakaev, A.; Ortiz, C. J.; Sand, A. E.; Terentyev, D.

2018-03-01

We upgrade our object kinetic Monte Carlo (OKMC) model, aimed at describing the microstructural evolution in tungsten (W) under neutron and ion irradiation. Two main improvements are proposed based on recently published atomistic data: (a) interstitial carbon impurities, and their interaction with radiation-induced defects (point defect clusters and loops), are more accurately parameterized thanks to ab initio findings; (b) W transmutation to rhenium (Re) upon neutron irradiation, impacting the diffusivity of radiation defects, is included, also relying on recent atomistic data. These essential amendments highly improve the portability of our OKMC model, providing a description for the formation of SIA-type loops under different irradiation conditions. The model is applied to simulate neutron and ion irradiation in pure W samples, in a wide range of fluxes and temperatures. We demonstrate that it performs a realistic prediction of the population of TEM-visible voids and loops, as compared to experimental evidence. The impact of the transmutation of W to Re, and of carbon trapping, is assessed.

Suppressing Nonradiative Recombination in Crown-Shaped Quantum Wells

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

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

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

Modeling electronic trap state distributions in nanocrystalline anatase

NASA Astrophysics Data System (ADS)

Le, Nam; Schweigert, Igor

The charge transport properties of nanocrystalline TiO2 films, and thus the catalytic performance of devices that incorporate them, are affected strongly by the spatial and energetic distribution of localized electronic trap states. Such traps may arise from a variety of defects: Ti interstitials, O vacancies, step edges at surfaces, and grain boundaries. We have developed a procedure for applying density functional theory (DFT) and density functional tight binding (DFTB) calculations to characterize distributions of localized states arising from multiple types of defects. We have applied the procedure to investigate how the morphologies of interfaces between pairs of attached anatase nanoparticles determine the energies of trap states therein. Our results complement recent experimental findings that subtle changes in the morphology of highly porous TiO2 aerogel networks can have a dramatic effect on catalytic performance, which was attributed to changes in the distribution of trap states. This work was supported by the U.S. Naval Research Laboratory via the National Research Council and by the Office of Naval Research through the U.S. Naval Research Laboratory.

Identification of the spatial location of deep trap states in AlGaN/GaN heterostructures by surface photovoltage spectroscopy

NASA Astrophysics Data System (ADS)

Jana, Dipankar; Porwal, S.; Sharma, T. K.

2017-12-01

Spatial and spectral origin of deep level defects in molecular beam epitaxy grown AlGaN/GaN heterostructures are investigated by using surface photovoltage spectroscopy (SPS) and pump-probe SPS techniques. A deep trap center ∼1 eV above the valence band is observed in SPS measurements which is correlated with the yellow luminescence feature in GaN. Capture of electrons and holes is resolved by performing temperature dependent SPS and pump-probe SPS measurements. It is found that the deep trap states are distributed throughout the sample while their dominance in SPS spectra depends on the density, occupation probability of deep trap states and the background electron density of GaN channel layer. Dynamics of deep trap states associated with GaN channel layer is investigated by performing frequency dependent photoluminescence (PL) and SPS measurements. A time constant of few millisecond is estimated for the deep defects which might limit the dynamic performance of AlGaN/GaN based devices.

Protein Crystallization

NASA Technical Reports Server (NTRS)

Chernov, Alexander A.

2005-01-01

Nucleation, growth and perfection of protein crystals will be overviewed along with crystal mechanical properties. The knowledge is based on experiments using optical and force crystals behave similar to inorganic crystals, though with a difference in orders of magnitude in growing parameters. For example, the low incorporation rate of large biomolecules requires up to 100 times larger supersaturation to grow protein, rather than inorganic crystals. Nucleation is often poorly reproducible, partly because of turbulence accompanying the mixing of precipitant with protein solution. Light scattering reveals fluctuations of molecular cluster size, its growth, surface energies and increased clustering as protein ages. Growth most often occurs layer-by-layer resulting in faceted crystals. New molecular layer on crystal face is terminated by a step where molecular incorporation occurs. Quantitative data on the incorporation rate will be discussed. Rounded crystals with molecularly disordered interfaces will be explained. Defects in crystals compromise the x-ray diffraction resolution crucially needed to find the 3D atomic structure of biomolecules. The defects are immobile so that birth defects stay forever. All lattice defects known for inorganics are revealed in protein crystals. Contribution of molecular conformations to lattice disorder is important, but not studied. This contribution may be enhanced by stress field from other defects. Homologous impurities (e.g., dimers, acetylated molecules) are trapped more willingly by a growing crystal than foreign protein impurities. The trapped impurities induce internal stress eliminated in crystals exceeding a critical size (part of mni for ferritin, lysozyme). Lesser impurities are trapped from stagnant, as compared to the flowing, solution. Freezing may induce much more defects unless quickly amorphysizing intracrystalline water.

Defect-mediated transport and electronic irradiation effect in individual domains of CVD-grown monolayer MoS 2

DOE PAGES

Durand, Corentin; Zhang, Xiaoguang; Fowlkes, Jason; ...

2015-01-16

We study the electrical transport properties of atomically thin individual crystalline grains of MoS 2 with four-probe scanning tunneling microscopy. The monolayer MoS 2 domains are synthesized by chemical vapor deposition on SiO 2/Si substrate. Temperature dependent measurements on conductance and mobility show that transport is dominated by an electron charge trapping and thermal release process with very low carrier density and mobility. The effects of electronic irradiation are examined by exposing the film to electron beam in the scanning electron microscope in an ultrahigh vacuum environment. The irradiation process is found to significantly affect the mobility and the carriermore » density of the material, with the conductance showing a peculiar time-dependent relaxation behavior. It is suggested that the presence of defects in active MoS 2 layer and dielectric layer create charge trapping sites, and a multiple trapping and thermal release process dictates the transport and mobility characteristics. The electron beam irradiation promotes the formation of defects and impact the electrical properties of MoS 2. Finally, our study reveals the important roles of defects and the electron beam irradiation effects in the electronic properties of atomic layers of MoS 2.« less

Defect-induced infrared electroluminescence from radial GaInP/AlGaInP quantum well nanowire array light- emitting diodes

NASA Astrophysics Data System (ADS)

Hussain, Laiq; Karimi, Mohammad; Berg, Alexander; Jain, Vishal; Borgström, Magnus T.; Gustafsson, Anders; Samuelson, Lars; Pettersson, Håkan

2017-12-01

Radial GaInP/AlGaInP nanowire array light-emitting diodes (LEDs) are promising candidates for novel high-efficiency solid state lighting due to their potentially large strain-free active emission volumes compared to planar LEDs. Moreover, by proper tuning of the diameter of the nanowires, the fraction of emitted light extracted can be significantly enhanced compared to that of planar LEDs. Reports so far on radial growth of nanowire LED structures, however, still point to significant challenges related to obtaining defect-free radial heterostructures. In this work, we present evidence of optically active growth-induced defects in a fairly broad energy range in vertically processed radial GaInP/AlGaInP quantum well nanowire array LEDs using a variety of complementary experimental techniques. In particular, we demonstrate strong infrared electroluminescence in a spectral range centred around 1 eV (1.2 μm) in addition to the expected red light emission from the quantum well. Spatially resolved cathodoluminescence studies reveal a patchy red light emission with clear spectral features along the NWs, most likely induced by variations in QW thickness, composition and barriers. Dark areas are attributed to infrared emission generated by competing defect-assisted radiative transitions, or to trapping mechanisms involving non-radiative recombination processes. Possible origins of the defects are discussed.

Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles

DOE PAGES

Vörös, Márton; Brawand, Nicholas P.; Galli, Giulia

2016-11-15

Lead chalcogenide (PbX) nanoparticles are promising materials for solar energy conversion. However, the presence of trap states in their electronic gap limits their usability, and developing a universal strategy to remove trap states is a persistent challenge. Using calculations based on density functional theory, we show that hydrogen acts as an amphoteric impurity on PbX nanoparticle surfaces; hydrogen atoms may passivate defects arising from ligand imbalance or off-stoichiometric surface terminations irrespective of whether they originate from cation or anion excess. In addition, we show, using constrained density functional theory calculations, that hydrogen treatment of defective nanoparticles is also beneficial formore » charge transport in films. We also find that hydrogen adsorption on stoichiometric nanoparticles leads to electronic doping, preferentially n-type. Lastly, our findings suggest that postsynthesis hydrogen treatment of lead chalcogenide nanoparticle films is a viable approach to reduce electronic trap states or to dope well-passivated films.« less

Radiation effects and defects in lithium borate crystals

NASA Astrophysics Data System (ADS)

Ogorodnikov, Igor N.; Poryvay, Nikita E.; Pustovarov, Vladimir A.

2010-11-01

The paper presents the results of a study of the formation and decay of lattice defects in wide band-gap optical crystals of LiB3O5 (LBO), Li2B4O7 (LTB) and Li6Gd(BO3)3 (LGBO) with a sublattice of mobile lithium cations. By means of thermoluminescence techniques, and luminescent and absorption optical spectroscopy with a nanosecond time resolution under excitation with an electron beam, it was revealed that the optical absorption in these crystals in the visible and ultraviolet spectral ranges is produced by optical hole-transitions from the local defect level to the valence band states. The valence band density of the states determines mainly the optical absorption spectral profile, and the relaxation kinetics is rated by the interdefect non-radiative tunnel recombination between the trapped-hole center and the Li0 trapped-electron centers. At 290 K, the Li0 centers are subject to thermally stimulated migration. Based on experimental results, the overall picture of thermally stimulated recombination processes with the participation of shallow traps was established for these crystals.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Slow positrons in the study of surface and near-surface defects

NASA Astrophysics Data System (ADS)

Lynn, K. G.

A general theoretical model is presented which includes the probability of a positron diffusing back to the surface after implantation, and thermalization in samples containing various defects. This model incorporates surface state and thermal desorption from this state, as well as reflection back into the bulk. With this model vacancy formation enthalpies, activation energies of positrons from surface states, and specific trapping rates are deduced from the positronium fraction data. An amorphous Al/sub x/O/sub y/ overlayer on Al is discussed as an example of trapping in overlayers. In well-annealed single crystal samples, the positron is shown to be freely diffusing at low temperatures, whereas in a neutron-irradiatied Al single crystal sample the positron is localized at low positron binding energy defects presumably created during irradiation.

Electrically Active Defects In Solar Cells Based On Amorphous Silicon/Crystalline Silicon Heterojunction After Irradiation By Heavy Xe Ions

NASA Astrophysics Data System (ADS)

Harmatha, Ladislav; Mikolášek, Miroslav; Stuchlíková, L'ubica; Kósa, Arpád; Žiška, Milan; Hrubčín, Ladislav; Skuratov, Vladimir A.

2015-11-01

The contribution is focused on the diagnostics of structures with a heterojunction between amorphous and crystalline silicon prepared by HIT (Heterojunction with an Intrinsic Thin layer) technology. The samples were irradiated by Xe ions with energy 167 MeV and doses from 5 × 108 cm-2 to 5 × 1010 cm-2. Radiation defects induced in the bulk of Si and at the hydrogenated amorphous silicon and crystalline silicon (a-Si:H/c-Si) interface were identified by Deep Level Transient Spectroscopy (DLTS). Radiation induced A-centre traps, boron vacancy traps and different types of divacancies with a high value of activation energy were observed. With an increased fluence of heavy ions the nature and density of the radiation induced defects was changed.

Detection of single nano-defects in photonic crystals between crossed polarizers.

PubMed

Grepstad, Jon Olav; Kaspar, Peter; Johansen, Ib-Rune; Solgaard, Olav; Sudbø, Aasmund

2013-12-16

We investigate, by simulations and experiments, the light scattering of small particles trapped in photonic crystal membranes supporting guided resonance modes. Our results show that, due to amplified Rayleigh small particle scattering, such membranes can be utilized to make a sensor that can detect single nano-particles. We have designed a biomolecule sensor that uses cross-polarized excitation and detection for increased sensitivity. Estimated using Rayleigh scattering theory and simulation results, the current fabricated sensor has a detection limit of 26 nm, corresponding to the size of a single virus. The sensor can potentially be made both cheap and compact, to facilitate use at point-of-care.

Defect studies in one MeV electron irradiated GaAs and in Al/sub x Ga/sub l-x As P-N junction solar cells

NASA Technical Reports Server (NTRS)

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

1984-01-01

Deep level transient spectroscopy reveals that the main electron traps for one-MeV electron irradiated GaAs cells are E9c)-0.31, E(c)-0.90 eV, and the main hole trap is due to the level. Electron trap density was found to vary from 3/tens-trillion ccm for 2/one quadrillion cm 3/3.7 quadrillion cm for 21 sextillion cm electron fluence for electron fluence; a similar result was also obtained for the hole trap density. As for the grown-in defects in the Al(x)Ga(1-x)As p-n junciton cells, only two electron traps with energies of E(c)-0.20 and E(c)-0.34 eV were observed in samples with x = 0.17, and none was found for x 0.05. Auger analysis on the Al(x)Ga(1-x) As window layer of the GaAs solar cell showed a large amount of oxygen and carbon contaminants near the surface of the AlGaAs epilayer. Thermal annealing experiment performed at 250 C for up to 100 min. showed a reduction in the density of both electron traps.

Time-dependent dielectric breakdown in pure and lightly Al-doped Ta2O5 stacks

NASA Astrophysics Data System (ADS)

Atanassova, E.; Stojadinović, N.; Spassov, D.; Manić, I.; Paskaleva, A.

2013-05-01

The time-dependent dielectric breakdown (TDDB) characteristics of 7 nm pure and lightly Al-doped Ta2O5 (equivalent oxide thickness of 2.2 and 1.5 nm, respectively) with W gate electrodes in MOS capacitor configuration are studied using gate injection and constant voltage stress. The effect of both the process-induced defects and the dopant on the breakdown distribution, and on the extracted Weibull slope values, are discussed. The pre-existing traps which provoke weak spots dictate early breakdowns. Their effect is compounded of both the stress-induced new traps generation (percolation model is valid) and the inevitable lower-k interface layer in the region with long time-to-breakdown. The domination of one of these competitive effects defines the mechanism of degradation: the trapping at pre-existing traps appears to dominate in Ta2O5; Al doping reduces defects in Ta2O5, the generation of new traps prevails over the charge trapping in the doped samples, and the mechanism of breakdown is more adequate to the percolation concept. The doping of high-k Ta2O5 even with small amount (5 at.%) may serve as an engineering solution for improving its TDDB characteristics and reliability.

Free-volume characterization of nanostructurized substances by positron annihilation lifetime spectroscopy

NASA Astrophysics Data System (ADS)

Shpotyuk, O.; Ingram, A.; Shpotyuk, Ya.

2018-02-01

Methodological possibilities of positron annihilation lifetime (PAL) spectroscopy are examined to parameterize free-volume structural evolution processes in some nanostructurized substances obeying conversion from positronium (Ps) decaying to positron trapping. Unlike conventional x3-term fitting analysis based on admixed positron trapping and Ps decaying, the effect of nanostructurization is considered as occurring due to conversion from preferential Ps decaying in initial host matrix to positron trapping in modified (nanostructurized) host-guest matrix. The developed approach referred to as x3-x2-CDA (coupling decomposition algorithm) allows estimation defect-free bulk and defect-specific positron lifetimes of free-volume elements responsible for nanostructurization. The applicability of this approach is proved for some nanostructurized materials allowing free-volume changes through Ps-to-positron trapping conversion, such as (i) metallic Ag nanoparticles embedded in polymer matrix, (ii) structure-modification processes caused by swift heavy ions irradiation in polystyrene, and (iii) host-guest chemistry problems like water immersion in alumomagnesium spinel ceramics. This approach is considered to be used as test-indicator, separating processes of host-matrix nanostructurization due to embedded nanoparticles from uncorrelated changes in positron-trapping and Ps-decaying channels.

Annealing shallow Si/SiO2 interface traps in electron-beam irradiated high-mobility metal-oxide-silicon transistors

NASA Astrophysics Data System (ADS)

Kim, J.-S.; Tyryshkin, A. M.; Lyon, S. A.

2017-03-01

Electron-beam (e-beam) lithography is commonly used in fabricating metal-oxide-silicon (MOS) quantum devices but creates defects at the Si/SiO2 interface. Here, we show that a forming gas anneal is effective at removing shallow defects (≤4 meV below the conduction band edge) created by an e-beam exposure by measuring the density of shallow electron traps in two sets of high-mobility MOS field-effect transistors. One set was irradiated with an electron-beam (10 keV, 40 μC/cm2) and was subsequently annealed in forming gas while the other set remained unexposed. Low temperature (335 mK) transport measurements indicate that the forming gas anneal recovers the e-beam exposed sample's peak mobility (14 000 cm2/Vs) to within a factor of two of the unexposed sample's mobility (23 000 cm2/Vs). Using electron spin resonance (ESR) to measure the density of shallow traps, we find that the two sets of devices are nearly identical, indicating the forming gas anneal is sufficient to anneal out shallow defects generated by the e-beam exposure. Fitting the two sets of devices' transport data to a percolation transition model, we extract a T = 0 percolation threshold density in quantitative agreement with our lowest temperature ESR-measured trap densities.

Evaluation of border traps and interface traps in HfO2/MoS2 gate stacks by capacitance–voltage analysis

NASA Astrophysics Data System (ADS)

Zhao, Peng; Khosravi, Ava; Azcatl, Angelica; Bolshakov, Pavel; Mirabelli, Gioele; Caruso, Enrico; Hinkle, Christopher L.; Hurley, Paul K.; Wallace, Robert M.; Young, Chadwin D.

2018-07-01

Border traps and interface traps in HfO2/few-layer MoS2 top-gate stacks are investigated by C–V characterization. Frequency dependent C–V data shows dispersion in both the depletion and accumulation regions for the MoS2 devices. The border trap density is extracted with a distributed model, and interface traps are analyzed using the high-low frequency and multi-frequency methods. The physical origins of interface traps appear to be caused by impurities/defects in the MoS2 layers, performing as band tail states, while the border traps are associated with the dielectric, likely a consequence of the low-temperature deposition. This work provides a method of using multiple C–V measurements and analysis techniques to analyze the behavior of high-k/TMD gate stacks and deconvolute border traps from interface traps.

Defect studies of nanocrystalline zirconia powders and sintered ceramics

NASA Astrophysics Data System (ADS)

Čížek, Jakub; Melikhova, Oksana; Procházka, Ivan; Kuriplach, Jan; Kužel, Radomír; Brauer, Gerhard; Anwand, Wolfgang; Konstantinova, Tatyana E.; Danilenko, Igor A.

2010-01-01

The main objective of the present paper is to communicate a study of defects behavior in zirconia-based nanomaterials—pressure-compacted yttria-stabilized zirconia (YSZ) nanopowders with different contents of Y2O3 and ceramics obtained by sintering the YZS nanopowders. In addition, YZS single crystals were also investigated. Positron annihilation techniques including positron lifetime and coincidence Doppler broadening with a conventional positron source and Doppler broadening experiments on a monoenergetic positron beam were involved in this study as the principal tools. These techniques were supplemented with transmission electron microscopy and x-ray diffraction observations. In order to get better support of the experimental data interpretation, the state-of-art theoretical calculations of positron parameters were performed for the perfect ZrO2 lattice and selected defect configurations in the YSZ. Theoretical calculations have indicated that neither the oxygen vacancies nor their neutral complexes with substitutional yttrium atoms are capable of positron trapping. On the other hand, the zirconium vacancies are deep positron traps and obviously are responsible for the saturated positron trapping observed in the YSZ single crystals. In the compacted YSZ nanopowders, a majority of positrons is trapped either in the vacancylike defects situated in the negative space-charge layers along grain boundaries (τ1≈185ps) or in vacancy clusters at intersections of grain boundaries (τ2≈370ps) . The intensity ratio I2/I1 was found to be correlated with the mean grain size d as I2/I1˜d-2 . A small fraction of positrons (≈10%) form positronium in large pores (τ3≈2ns,τ4≈30ns) . A significant grain growth during sintering of the YSZ nanopowders above 1000°C was observed.

Thermoluminescence and lattice defects in LiF

NASA Technical Reports Server (NTRS)

Stoebe, T. G.; Watanabe, S.

1975-01-01

The principal effect of thermal and optical treatments in an ionic solid is to alter the lattice defect equilibrium, including the concentration and arrangement of ion vacancies, impurities, impurity-vacancy associates, and assorted electrons and holes which may be associated with such defects. This paper examines the relationship between these defects and thermoluminescence in the case of lithium fluoride at and above room temperature. The discussion focuses on lattice defect equilibrium, thermoluminescent trapping centers, the relationship between recombination and luminescence, the supralinearity and sensitization of the dosimetry grade of LiF and activation energy parameters.

Comparison of methods applied in photoinduced transient spectroscopy to determining the defect center parameters: The correlation procedure and the signal analysis based on inverse Laplace transformation

NASA Astrophysics Data System (ADS)

Suproniuk, M.; Pawłowski, M.; Wierzbowski, M.; Majda-Zdancewicz, E.; Pawłowski, Ma.

2018-04-01

The procedure for determination of trap parameters by photo-induced transient spectroscopy is based on the Arrhenius plot that illustrates a thermal dependence of the emission rate. In this paper, we show that the Arrhenius plot obtained by the correlation method is shifted toward lower temperatures as compared to the one obtained with the inverse Laplace transformation. This shift is caused by the model adequacy error of the correlation method and introduces errors to a calculation procedure of defect center parameters. The effect is exemplified by comparing the results of the determination of trap parameters with both methods based on photocurrent transients for defect centers observed in tin-doped neutron-irradiated silicon crystals and in gallium arsenide grown with the Vertical Gradient Freeze method.

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

Liu, Yanhong; Gao, Ping; Li, La

Pure Si{sub x}C{sub 1−x} (x > 0.5) and B-containing Si{sub x}C{sub 1−x} (x > 0.5) based resistive switching devices (RSD) with the structure of Ag/Si{sub x}C{sub 1−x}/p-Si were fabricated and their switching characteristics and mechanism were investigated systematically. Percolation mechanism through trapping/ de-trapping at defect states was suggested for the switching process. Through the introduction of B atoms into Si{sub x}C{sub 1−x}, the density of defect states was reduced, then, the SET and RESET voltages were also decreased. Based on the percolation theory, the dependence of SET/RESET voltage on the density of defect states was analyzed. These results supply a deep understanding for themore » SiC-based RSD, which have a potential application in extreme ambient conditions.« less

Location Of Hole And Electron Traps On Nanocrystalline Anatase TiO2

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

Mercado, Candy C.; Knorr, Fritz J.; McHale, Jeanne L.

2012-05-17

The defect photoluminescence from TiO2 nanoparticles in the anatase phase is reported for nanosheets which expose predominantly (001) surfaces, and compared to that from conventional anatase nanoparticles which expose mostly (101) surfaces. Also reported is the weak defect photoluminescence of TiO2 nanotubes, which we find using electron back-scattered diffraction to consist of walls which expose (110) and (100) facets. The nanotubes exhibit photoluminescence that is blue-shifted and much weaker than that from conventional TiO2 nanoparticles. Despite the preponderance of (001) surfaces in the nanosheet samples, they exhibit photoluminescence similar to that of conventional nanoparticles. We assign the broad visible photoluminescencemore » of anatase nanoparticles to two overlapping distributions: hole trap emission associated with oxygen vacancies on (101) exposed surfaces, which peaks in the green, and a broader emission extending into the red which results from electron traps on under-coordinated titanium atoms, which are prevalent on (001) facets. The results of this study suggest how morphology of TiO2 nanoparticles could be optimized to control the distribution and activity of surface traps. Our results also shed light on the mechanism by which the TiCl4 surface treatment heals traps on anatase and mixed-phase TiO2 films, and reveals distinct differences in the trap-state distributions of TiO2 nanoparticles and nanotubes. The molecular basis for electron and hole traps and their spatial separation on different facets is discussed.« less

Mass defect effects in atomic clocks

NASA Astrophysics Data System (ADS)

Yudin, Valeriy; Taichenachev, Alexey

2018-03-01

We consider some implications of the mass defect on the frequency of atomic transitions. We have found that some well-known frequency shifts (the gravitational shift and motion-induced shifts such as quadratic Doppler and micromotion shifts) can be interpreted as consequences of the mass defect in quantum atomic physics, i.e. without the need for the concept of time dilation used in special and general relativity theories. Moreover, we show that the inclusion of the mass defect leads to previously unknown shifts for clocks based on trapped ions.

The influence of radiation-induced defects on thermoluminescence and optically stimulated luminescence of α-Al2O3:C

NASA Astrophysics Data System (ADS)

Nyirenda, A. N.; Chithambo, M. L.

2017-04-01

It is known that when α-Al2O3:C is exposed to excessive amounts of ionising radiation, defects are induced within its matrix. We report the influence of radiation-induced defects on the thermoluminescence (TL) and optically stimulated luminescence (OSL) measured from α-Al2O3:C after irradiation to 1000 Gy. These radiation-induced defects are thermally unstable in the region 450-650 °C and result in TL peaks in this range when the TL is measured at 1 °C/s. Heating a sample to 700 °C obliterates the radiation-induced defects, that is, the TL peaks corresponding to the radiation induced defects are no longer observed in the subsequent TL measurements when moderate irradiation doses below 10 Gy are used. The charge traps associated with these radiation-induced defects are more stable than the dosimetric trap when the sample is exposed to either sunlight or 470-nm blue light from LEDs. TL glow curves measured following the defect-inducing irradiation produce a dosimetric peak that is broader and positioned at a higher temperature than observed in glow curves obtained before the heavy irradiation. In addition, sample sensitization/desensitization occurs due to the presence of these radiation-induced defects. Furthermore, both the activation energy and the kinetic order of the dosimetric peak evaluated when the radiation-induced defects are present in the sample are significantly lower in value than those obtained when these defects are absent. The radiation-induced defects also affect the shape and total light sum of the OSL signal as well as the position and width of the resultant residual phototransferred thermoluminescence main peak.

Defect and void evolution in oxide dispersion strengthened ferritic steels under 3.2 MeV Fe + ion irradiation with simultaneous helium injection

NASA Astrophysics Data System (ADS)

Kim, I.-S.; Hunn, J. D.; Hashimoto, N.; Larson^1, D. L.; Maziasz, P. J.; Miyahara, K.; Lee, E. H.

2000-08-01

In an attempt to explore the potential of oxide dispersion strengthened (ODS) ferritic steels for fission and fusion structural materials applications, a set of ODS steels with varying oxide particle dispersion were irradiated at 650°C, using 3.2 MeV Fe + and 330 keV He + ions simultaneously. The void formation mechanisms in these ODS steels were studied by juxtaposing the response of a 9Cr-2WVTa ferritic/martensitic steel and solution annealed AISI 316LN austenitic stainless steel under the same irradiation conditions. The results showed that void formation was suppressed progressively by introducing and retaining a higher dislocation density and finer precipitate particles. Theoretical analyses suggest that the delayed onset of void formation in ODS steels stems from the enhanced point defect recombination in the high density dislocation microstructure, lower dislocation bias due to oxide particle pinning, and a very fine dispersion of helium bubbles caused by trapping helium atoms at the particle-matrix interfaces.

Ab initio simulations of the structure, energetics and mobility of radiation-induced point defects in bcc Nb

NASA Astrophysics Data System (ADS)

Cerdeira, M. A.; Palacios, S. L.; González, C.; Fernández-Pello, D.; Iglesias, R.

2016-09-01

The formation, binding and migration energetics of helium clusters inside a niobium crystal have been analysed via ab initio simulations. The effect of placing several He atoms within an n-vacancy previously formed or as interstitials inside the initial perfect bulk matrix has been studied. DFT-based results show that He atoms prefer to aggregate forming small clusters at n-vacancy sites rather than at interstitial positions in the perfect crystal. The minimum formation energy is found when NHe is equal to the number of vacancies, n. It follows that vacancies act as almost perfect traps for He atoms, as is well known for other metals. The migration barriers of He atoms inside vacancies increase considerably when compared to what happens for vacancies alone. A secondary consequence is that the full set of energies obtained will be highly relevant as an input for new approaches to KMC simulations of defects in Nb.

Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.

PubMed

Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A

2018-06-13

Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.

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

Vörös, Márton; Brawand, Nicholas P.; Galli, Giulia

Lead chalcogenide (PbX) nanoparticles are promising materials for solar energy conversion. However, the presence of trap states in their electronic gap limits their usability, and developing a universal strategy to remove trap states is a persistent challenge. Using calculations based on density functional theory, we show that hydrogen acts as an amphoteric impurity on PbX nanoparticle surfaces; hydrogen atoms may passivate defects arising from ligand imbalance or off-stoichiometric surface terminations irrespective of whether they originate from cation or anion excess. In addition, we show, using constrained density functional theory calculations, that hydrogen treatment of defective nanoparticles is also beneficial formore » charge transport in films. We also find that hydrogen adsorption on stoichiometric nanoparticles leads to electronic doping, preferentially n-type. Lastly, our findings suggest that postsynthesis hydrogen treatment of lead chalcogenide nanoparticle films is a viable approach to reduce electronic trap states or to dope well-passivated films.« less

Effect of surface treatments on self-trapped exciton luminescence in single-crystal CaF2

NASA Astrophysics Data System (ADS)

Cramer, L. P.; Cumby, T. D.; Leraas, J. A.; Langford, S. C.; Dickinson, J. T.

2005-05-01

We show that near-surface defects produced by mechanical treatments and electron irradiation can significantly enhance the intensity of luminescence due to the decay of self-trapped excitons (STEs) in single-crystal calcium fluoride during 157- and 193-nm irradiation. For example, polishing can double the intensity of the STE luminescence. Defects produced by mechanical indentation can either increase or decrease the luminescence intensity, depending on the indentation force. Electron irradiation also enhances subsequent STE luminescence. When electron-irradiated samples are annealed, additional increases in luminescence intensity are observed. Plausible mechanisms for the observed effects on STE luminescence intensity are discussed.

EPR and transient capacitance studies on electron-irradiated silicon solar cells

NASA Technical Reports Server (NTRS)

Lee, Y. H.; Cheng, L. J.; Mooney, P. M.; Corbett, J. W.

1977-01-01

One and two ohm-cm solar cells irradiated with 1 MeV electrons at 30 C were studied using both EPR and transient capacitance techniques. In 2 ohm-cm cells, Si-G6 and Si-G15 EPR spectra and majority carrier trapping levels at (E sub V + 0.23) eV and (E sub V + 0.38) eV were observed, each of which corresponded to the divacancy and the carbon-oxygen-vacancy complex, respectively. In addition, a boron-associated defect with a minority carrier trapping level at (E sub C -0.27) eV was observed. In 1 ohm-cm cells, the G15 spectrum and majority carrier trap at (E sub V + 0.38) eV were absent and an isotropic EPR line appeared at g = 1.9988 (+ or - 0.0003); additionally, a majority carrier trapping center at (E sub V + 0.32) eV, was found which could be associated with impurity lithium. The formation mechanisms of these defects are discussed according to isochronal annealing data in electron-irradiated p-type silicon.

Thermally stimulated capacitance in gamma irradiated epitaxial 4H-SiC Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Vigneshwara Raja, P.; Narasimha Murty, N. V. L.

2018-04-01

Deep level defects in 4H-SiC Schottky barrier diodes (SBDs) fabricated on n-type epitaxial 4H-SiC have been identified by thermally stimulated capacitance (TSCAP) spectroscopy prior to and after 60Co-gamma irradiation. The TSCAP measurements on the non-irradiated SBDs reveal two electron traps at Ec-0.63 eV (˜250 K) and Ec-1.13 eV (˜525 K), whereas only one trap at Ec-0.63 eV is identified by conventional thermally stimulated current (TSC) measurements. Hence, TSCAP spectroscopy is more effective in identifying deep level defects in epitaxial 4 H-SiC SBDs as compared to the TSC spectroscopy. Upon exposure to 60Co-gamma rays up to a dose of 100 Mrad, significant changes in the concentration of the traps at Ec-0.63 eV, Ec-1.13 eV, and one new trap at Ec-0.89 eV (˜420 K) are observed. The electrical characteristics of the SBDs are considerably changed after gamma irradiation. The dominant mechanisms responsible for the irradiation induced changes in the SBD electrical characteristics are analyzed by incorporating the trap signatures in the commercial Silvaco® TCAD device simulator. The extracted trap parameters of the irradiated SBDs may be helpful in predicting the survival of 4H-SiC SBD detectors at higher irradiation levels.

Investigation of defect properties in Cu(In,Ga)Se 2 solar cells by deep-level transient spectroscopy

NASA Astrophysics Data System (ADS)

Kerr, L. L.; Li, Sheng S.; Johnston, S. W.; Anderson, T. J.; Crisalle, O. D.; Kim, W. K.; Abushama, J.; Noufi, R. N.

2004-09-01

The performance of the chalcopyrite material Cu(In,Ga)Se 2 (CIGS) used as an absorber layer in thin-film photovoltaic devices is significantly affected by the presence of native defects. The deep-level transient spectroscopy (DLTS) technique is used in this work to characterize the defect properties, yielding relevant information about the defect types, their capture cross-sections, and energy levels and densities in the CIGS cells. Three solar cells developed using different absorber growth technologies were analyzed using DLTS, capacitance-voltage ( C- V), and capacitance-temperature ( C- T) techniques. It was found that CIS cells grown at the University of Florida exhibits a middle-gap defect level that may relate to the cell's low fill factor and open-circuit voltage values observed. A high efficiency ( ηc>18%) CIGS cell produced by the National Renewable Energy Laboratory (NREL) was found to contain three minority-carrier (electron) traps and a 13% CIGS cell produced by the Energy Photovoltaics Inc. (EPV) exhibited one majority (hole) trap. The approach followed using the DLTS technique serves as a paradigm for revealing the presence of significant defect levels in absorber materials, and may be used to support the identification of remedial processing operations.

Exciton transport in π-conjugated polymers with conjugation defects.

PubMed

Meng, Ruixuan; Li, Yuan; Li, Chong; Gao, Kun; Yin, Sun; Wang, Luxia

2017-09-20

In π-conjugated polymers for photovoltaic applications, intrinsic conjugation defects are known to play crucial roles in impacting exciton transport after photoexcitation. However, the understanding of the associated microscopic processes still remains limited. Here, we present a theoretical investigation of the effects of different conjugation defects on the dynamics of exciton transport in two linearly coupled poly(p-phenylene vinylene) (PPV) molecules. The model system is constructed by employing an extended version of the Su-Schrieffer-Heeger model and the exciton behaviors are simulated by means of a quantum nonadiabatic dynamics. We identify two types of conjugation defects, i.e., weakening conjugation and strengthening conjugation, which are demonstrated to play different roles in impacting the dynamics of exciton transport in the system. The weakening conjugation acts as an energy well inclined to trap a moving exciton, while the strengthening conjugation acts as an energy barrier inclined to block the exciton. We also systematically simulate both intrachain and interchain dynamics of exciton transport, and find that an exciton could experience a "short-time delaying", "trapping", "blocking", or "hopping" process, which is determined by the defect type, strength, and position. These findings provide a microscopic understanding of how the exciton transport dynamics can be impacted by conjugation defects in an actual polymer system.

Dual passivation of intrinsic defects at the compound semiconductor/oxide interface using an oxidant and a reductant.

PubMed

Kent, Tyler; Chagarov, Evgeniy; Edmonds, Mary; Droopad, Ravi; Kummel, Andrew C

2015-05-26

Studies have shown that metal oxide semiconductor field-effect transistors fabricated utilizing compound semiconductors as the channel are limited in their electrical performance. This is attributed to imperfections at the semiconductor/oxide interface which cause electronic trap states, resulting in inefficient modulation of the Fermi level. The physical origin of these states is still debated mainly because of the difficulty in assigning a particular electronic state to a specific physical defect. To gain insight into the exact source of the electronic trap states, density functional theory was employed to model the intrinsic physical defects on the InGaAs (2 × 4) surface and to model the effective passivation of these defects by utilizing both an oxidant and a reductant to eliminate metallic bonds and dangling-bond-induced strain at the interface. Scanning tunneling microscopy and spectroscopy were employed to experimentally determine the physical and electronic defects and to verify the effectiveness of dual passivation with an oxidant and a reductant. While subsurface chemisorption of oxidants on compound semiconductor substrates can be detrimental, it has been shown theoretically and experimentally that oxidants are critical to removing metallic defects at oxide/compound semiconductor interfaces present in nanoscale channels, oxides, and other nanostructures.

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

Valles, G.; Martin-Bragado, I.; Nordlund, K.

Recently, tungsten has been found to form a highly underdense nanostructured morphology (“W fuzz”) when bombarded by an intense flux of He ions, but only in the temperature window 900–2000 K. Furthermore, using object kinetic Monte Carlo simulations (pseudo-3D simulations) parameterized from first principles, we show that this temperature dependence can be understood based on He and point defect clustering, cluster growth, and detrapping reactions. At low temperatures (<900 K), fuzz does not grow because almost all He is trapped in very small He-vacancy clusters. At high temperatures (>2300 K), all He is detrapped from clusters, preventing the formation ofmore » the large clusters that lead to fuzz growth in the intermediate temperature range.« less

Origin of reduced efficiency in high Ga concentration Cu(In,Ga)Se2 solar cell

NASA Astrophysics Data System (ADS)

Wei, S.-H.; Huang, B.; Deng, H.; Contreras, M. A.; Noufi, R.; Chen, S.; Wang, L. W.

2014-03-01

CuInSe2 (CIS) is one of the most attractive thin-film materials for solar cells. It is well know that alloying Ga into CIS forming Cu(In,Ga)Se2 (CIGS) alloy is crucial to achieve the high efficiency, but adding too much Ga will lead to a decline of the solar cell efficiency. The exact origin of this puzzling phenomenon is currently still under debate. Using first-principles method, we have systemically studied the structural and electronic properties of CIGS alloys. Our phase diagram calculations suggest that increasing growth temperature may not be a critical factor in enhancing the cell performance of CIGS under equilibrium growth condition. On the other hand, our defect calculations identify that high concentration of antisite defects MCu(M =In, Ga) rather than anion defects are the key deep-trap centers in CIGS. The more the Ga concentration in CIGS, the more harmful the deep-trap is. Self-compensation in CIGS, which forms 2VCu + MCudefect complexes, is found to be beneficial to quench the deep-trap levels induced by MCu in CIGS, especially at low Ga concentration. Unfortunately, the density of isolated MCu is quite high and cannot be largely converted into 2VCu + MCu complexes under thermal equilibrium condition. Thus, nonequilibrium growth conditions or low growth temperature that can suppress the formation of the deep-trap centers MCu may be necessary for improving the efficiency of CIGS solar cells with high Ga concentrations.

Vanadium substitution: A simple and economic way to improve UV sensing in ZnO

NASA Astrophysics Data System (ADS)

Srivastava, Tulika; Bajpai, Gaurav; Rathore, Gyanendra; Liu, Shun Wei; Biring, Sajal; Sen, Somaditya

2018-04-01

The UV sensing in pure ZnO is due to oxygen adsorption/desorption process from the ZnO surface. Vanadium doping improves the UV sensitivity of ZnO. The enhancement in UV sensitivity in vanadium-substituted ZnO is attributed to trapping and de-trapping of electrons at V4+ and V5+-related defect states. The V4+ state has an extra electron than the V5+ state. A V4+ to V5+ transformation happens with excitation of this electron to the conduction band, while a reverse trapping process liberates a visible light. An analytic study of response phenomenon reveals this trapping and de-trapping process.

Origin of large dark current increase in InGaAs/InP avalanche photodiode

NASA Astrophysics Data System (ADS)

Wen, J.; Wang, W. J.; Chen, X. R.; Li, N.; Chen, X. S.; Lu, W.

2018-04-01

The large dark current increase near the breakdown voltage of an InGaAs/InP avalanche photodiode is observed and analyzed from the aspect of bulk defects in the device materials. The trap level information is extracted from the temperature-dependent electrical characteristics of the device and the low temperature photoluminescence spectrum of the materials. Simulation results with the extracted trap level taken into consideration show that the trap is in the InP multiplication layer and the trap assisted tunneling current induced by the trap is the main cause of the large dark current increase with the bias from the punch-through voltage to 95% breakdown voltage.

Characterization of Defects in Scaled Mis Dielectrics with Variable Frequency Charge Pumping

NASA Astrophysics Data System (ADS)

Paulsen, Ronald Eugene

1995-01-01

Historically, the interface trap has been extensively investigated to determine the effects on device performance. Recently, much attention has been paid to trapping in near-interface oxide traps. Performance of high precision analog circuitry is affected by charge trapping in near-interface oxide traps which produces hysteresis, charge redistribution errors, and dielectric relaxation effects. In addition, the performance of low power digital circuitry, with reduced noise margins, may be drastically affected by the threshold voltage shifts associated with charge trapping in near -interface oxide traps. Since near-interface oxide traps may substantially alter the performance of devices, complete characterization of these defects is necessary. In this dissertation a new characterization technique, variable frequency charge pumping, is introduced which allows charge trapped at the interface to be distinguished from the charge trapped within the oxide. The new experimental technique is an extension of the charge pumping technique to low frequencies such that tunneling may occur from interface traps to near-interface oxide traps. A generalized charge pumping model, based on Shockley-Read-Hall statistics and trap-to-trap tunneling theory, has been developed which allows a more complete characterization of near-interface oxide traps. A pair of coupled differential equations governing the rate of change of occupied interface and near-interface oxide traps have been developed. Due to the experimental conditions in the charge pumping technique the equations may be decoupled, leading to an equation governing the rate of change of occupied interface traps and an equation governing the rate of change of occcupied near-interface oxide traps. Solving the interface trap equation and applying non-steady state charge dynamics leads to an interface trap component of the charge pumping current. In addition, solution to the near-interface oxide trap equation leads to an additional oxide trap component to the charge pumping current. Numerical simulations have been performed to support the analytical development of the generalized charge pumping model. By varying the frequency of the applied charge pumping waveform and monitoring the charge recombined per cycle, the contributions from interface traps may be separated from the contributions of the near-interface oxide traps. The generalized charge pumping model allows characterization of the density and spatial distribution of near-interface oxide traps from this variable frequency charge pumping technique. Characterization of interface and near-interface oxide trap generation has been performed on devices exposed to ionizing radiation, hot electron injection, and high -field/Fowler-Nordheim stressing. Finally, using SONOS nonvolatile memory devices, a framework has been established for experimentally determining not only the spatial distribution of near-interface oxide traps, but also the energetic distribution. An experimental approach, based on tri-level charge pumping, is discussed which allows the energetic distribution of near-interface oxide traps to be determined.

Nature of electron trap states under inversion at In0.53Ga0.47As/Al2O3 interfaces

NASA Astrophysics Data System (ADS)

Colleoni, Davide; Pourtois, Geoffrey; Pasquarello, Alfredo

2017-03-01

In and Ga impurities substitutional to Al in the oxide layer resulting from diffusion out of the substrate are identified as candidates for electron traps under inversion at In0.53Ga0.47As/Al2O3 interfaces. Through density-functional calculations, these defects are found to be thermodynamically stable in amorphous Al2O3 and to be able to capture two electrons in a dangling bond upon breaking bonds with neighboring O atoms. Through a band alignment based on hybrid functional calculations, it is inferred that the corresponding defect levels lie at ˜1 eV above the conduction band minimum of In0.53Ga0.47As, in agreement with measured defect densities. These results support the technological importance of avoiding cation diffusion into the oxide layer.

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

NASA Astrophysics Data System (ADS)

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

2012-10-01

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

Positron trapping at defects in copper oxide superconductors

NASA Astrophysics Data System (ADS)

McMullen, T.; Jena, P.; Khanna, S. N.; Li, Yi; Jensen, Kjeld O.

1991-05-01

Positron states and lifetimes at defects in the copper oxide superconductors La2-xSrxCuO4, YBa2Cu3O7-x, and Bi2Sr2CaCu2O8+x are calculated with use of the superposed-atom model. In the Bi2Sr2CaCu2O8+x compound, we find that the smaller metal-ion vacancies appear to only bind positrons weakly, while missing oxygens do not trap positrons. In contrast, metal-ion vacancies in La2-xSrxCuO4 and YBa2Cu3O7-x bind positrons by ~1 eV, and oxygen-related defects appear to be the weak-binding sites in these materials. The sites that bind positrons only weakly, by energies ~kBT, are of particular interest in view of the complex temperature dependences of the annihilation characteristics that are observed in these materials.

Unexpected effects of a trap in CCD echelle spectra of B-type stars

NASA Technical Reports Server (NTRS)

Morrison, Nancy D.; Zimba, Jason R.

1990-01-01

Because of the nature of echelle spectra, cosmetic defects such as traps may mimic real spectral features. An example from spectra taken at CTIO with a GEC CCD is presented, and it is shown how the affected pixels can be eliminated from the reduced spectrum, at a slight cost in signal-to-noise ratio.

Mechanism of phosphorus passivation of near-interface oxide traps in 4H–SiC MOS devices investigated by CCDLTS and DFT calculation

NASA Astrophysics Data System (ADS)

Jayawardena, Asanka; Shen, X.; Mooney, P. M.; Dhar, Sarit

2018-06-01

Interfacial charge trapping in 4H–SiC MOS capacitors with P doped SiO2 or phospho-silicate glass (PSG) as a gate dielectric has been investigated with temperature dependent capacitance–voltage measurements and constant capacitance deep level transient spectroscopy (CCDLTS) measurements. The measurements indicate that P doping in the dielectric results in significant reduction of near-interface electron traps that have energy levels within 0.5 eV of the 4H–SiC conduction band edge. Extracted trap densities confirm that the phosphorus induced near-interface trap reduction is significantly more effective than interfacial nitridation, which is typically used for 4H–SiC MOSFET processing. The CCDLTS measurements reveal that the two broad near-interface trap peaks, named ‘O1’ and ‘O2’, with activation energies around 0.15 eV and 0.4 eV below the 4H–SiC conduction band that are typically observed in thermal oxides on 4H–SiC, are also present in PSG devices. Previous atomic scale ab initio calculations suggested these O1 and O2 traps to be carbon dimers substituted for oxygen dimers (CO=CO) and interstitial Si (Sii) in SiO2, respectively. Theoretical considerations in this work suggest that the presence of P in the near-interfacial region reduces the stability of the CO=CO defects and reduces the density of Sii defects through the network restructuring. Qualitative comparison of results in this work and reported work suggest that the O1 and O2 traps in SiO2/4H–SiC MOS system negatively impact channel mobility in 4H–SiC MOSFETs.

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

Perriot, Romain; Uberuaga, Blas P.

We use molecular dynamics simulations to investigate the role of cation disorder on oxygen diffusion in Gd 2Zr 2O 7 (GZO) and Gd 2Ti 2O 7 (GTO) pyrochlores, a class of complex oxides which contain a structural vacancy relative to the basic fluorite structure. The introduction of disorder has distinct effects depending on the chemistry of the material, increasing the mobility of structural carriers by up to four orders of magnitude in GZO. In contrast, in GTO, there is no mobility at zero or low disorder on the ns timescale, but higher disorder liberates the otherwise immobile carriers, allowing diffusionmore » with rates comparable to GZO for the fully disordered material. Here, we show that the cation disorder enhances the diffusivity by both increasing the concentration of mobile structural carriers and their individual mobility. The disorder also influences the diffusion in materials containing intrinsic carriers, such as additional vacancies VO or oxygen interstitials OI. And while in ordered GZO and GTO the contribution of the intrinsic carriers dominates the overall diffusion of oxygen, OI in GZO contributes along with structural carriers, and the total diffusion rate can be calculated by assuming simple additive contributions from the two sources. Although the disorder in the materials with intrinsic defects usually enhances the diffusivity as in the defect-free case, in low concentrations, cation antisites AB or BA, where A = Gd and B = Zr or Ti, can act as traps for fast intrinsic defects. The trapping results in a lowering of the diffusivity, and causes a non-monotonic behavior of the diffusivity with disorder. Conversely, in the case of slow intrinsic defects, the main effect of the disorder is to liberate the structural carriers, resulting in an increase of the diffusivity regardless of the defect trapping.« less

Vacancy-type defects in Al2O3/GaN structure probed by monoenergetic positron beams

NASA Astrophysics Data System (ADS)

Uedono, Akira; Nabatame, Toshihide; Egger, Werner; Koschine, Tönjes; Hugenschmidt, Christoph; Dickmann, Marcel; Sumiya, Masatomo; Ishibashi, Shoji

2018-04-01

Defects in the Al2O3(25 nm)/GaN structure were probed by using monoenergetic positron beams. Al2O3 films were deposited on GaN by atomic layer deposition at 300 °C. Temperature treatment above 800 °C leads to the introduction of vacancy-type defects in GaN due to outdiffusion of atoms from GaN into Al2O3. The width of the damaged region was determined to be 40-50 nm from the Al2O3/GaN interface, and some of the vacancies were identified to act as electron trapping centers. In the Al2O3 film before and after annealing treatment at 300-900 °C, open spaces with three different sizes were found to coexist. The density of medium-sized open spaces started to decrease above 800 °C, which was associated with the interaction between GaN and Al2O3. Effects of the electron trapping/detrapping processes of interface states on the flat band voltage and the defects in GaN were also discussed.

Persistent photocurrent and deep level traps in PLD-grown In-Ga-Zn-O thin films studied by thermally stimulated current spectroscopy

NASA Astrophysics Data System (ADS)

Wang, Buguo; Anders, Jason; Leedy, Kevin; Schuette, Michael; Look, David

2018-02-01

InGaZnO (IGZO) is a promising semiconductor material for thin-film transistors (TFTs) used in DC and RF switching applications, especially since it can be grown at low temperatures on a wide variety of substrates. Enhancement-mode TFTs based on IGZO thin films grown by pulsed laser deposition (PLD) have been recently fabricated and these transistors show excellent performance; however, compositional variations and defects can adversely affect film quality, especially in regard to electrical properties. In this study, we use thermally stimulated current (TSC) spectroscopy to characterize the electrical properties and the deep traps in PLD-grown IGZO thin films. It was found that the as-grown sample has a DC activation energy of 0.62 eV, and two major traps with activation energies at 0.16-0.26 eV and at 0.90 eV. However, a strong persistent photocurrent (PPC) sometimes exists in the as-grown sample, so we carry out post-growth annealing in an attempt to mitigate the effect. It was found that annealing in argon increases the conduction, produces more PPC and also makes more traps observable. Annealing in air makes the film more resistive, and removes PPC and all traps but one. This work demonstrates that current-based trap emission, such as that associated with the TSC, can effectively reveal electronic defects in highlyresistive semiconductor materials, especially those are not amenable to capacitance-based techniques, such as deeplevel transient spectroscopy (DLTS).

Synthesis and characterization of magnesium oxide nanocrystallites and probing the vacancy-type defects through positron annihilation studies

NASA Astrophysics Data System (ADS)

Das, Anjan; Mandal, Atis Chandra; Roy, Soma; Prashanth, Pendem; Ahamed, Sk Izaz; Kar, Subhrasmita; Prasad, Mithun S.; Nambissan, P. M. G.

2016-09-01

Magnesium oxide nanocrystallites exhibit certain abnormal characteristics when compared to those of other wide band gap oxide semiconductors in the sense they are most prone to water absorption and formation of a hydroxide layer on the surface. The problem can be rectified by heating and pure nanocrystallites can be synthesized with controllable sizes. Inevitably the defect properties are distinctly divided between two stages, the one with the hydroxide layer (region I) and the other after the removal of the layer by annealing (region II). The lattice parameters, the optical band gap and even the positron annihilation characteristics are conspicuous by their distinct behavior in the two stages of the surface configurations of nanoparticles. While region I was specific with the formation of positronium-hydrogen complexes that drastically altered the defect-specific positron lifetimes, pick-off annihilation of orthopositronium atoms marked region II. The vacancy clusters within the nanocrystallites also trapped positrons. They agglomerated due to the effect of the higher temperatures and resulted in the growth of the nanocrystallites. The coincidence Doppler broadening spectroscopic measurements supported these findings and all the more indicated the trapping of positrons additionally into the neutral divacancies and negatively charged trivacancies. This is apart from the Mg2+ monovacancies which acted as the dominant trapping centers for positrons.

Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles

NASA Astrophysics Data System (ADS)

Voros, Marton; Brawand, Nicholas; Galli, Giulia

Lead chalcogenide (PbX) nanoparticles are promising materials for solar energy conversion. However, the presence of trap states in their electronic gap limits their usability, and developing a universal strategy to remove trap states is a persistent challenge. Using calculations based on density functional theory, we show that hydrogen acts as an amphoteric impurity on PbX nanoparticle surfaces; hydrogen atoms may passivate defects arising from ligand imbalance or off-stoichiometric surface terminations, irrespective of whether they originate from cation or anion excess. In addition, we show, using constrained density functional theory calculations, that hydrogen treatment of defective nanoparticles is also beneficial for charge transport in films. We also find that hydrogen adsorption on stoichiometric nanoparticles leads to electronic doping, preferentially n-type. Our findings suggest that post-synthesis hydrogen treatment of lead chalcogenide nanoparticle films is a viable approach to reduce electronic trap states or to dope well-passivated films. Work supported by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (NB) and U.S. DOE under Contract No. DE-AC02-06CH11357 (MV).

GaAs on Si epitaxy by aspect ratio trapping: Analysis and reduction of defects propagating along the trench direction

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

Orzali, Tommaso, E-mail: tommaso.orzali@sematech.org; Vert, Alexey; O'Brien, Brendan

2015-09-14

The Aspect Ratio Trapping technique has been extensively evaluated for improving the quality of III-V heteroepitaxial films grown on Si, due to the potential for terminating defects at the sidewalls of SiO{sub 2} patterned trenches that enclose the growth region. However, defects propagating along the trench direction cannot be effectively confined with this technique. We studied the effect of the trench bottom geometry on the density of defects of GaAs fins, grown by metal-organic chemical vapor deposition on 300 mm Si (001) wafers inside narrow (<90 nm wide) trenches. Plan view and cross sectional Scanning Electron Microscopy and Transmission Electron Microscopy, togethermore » with High Resolution X-Ray Diffraction, were used to evaluate the crystal quality of GaAs. The prevalent defects that reach the top surface of GaAs fins are (111) twin planes propagating along the trench direction. The lowest density of twin planes, ∼8 × 10{sup 8 }cm{sup −2}, was achieved on “V” shaped bottom trenches, where GaAs nucleation occurs only on (111) Si planes, minimizing the interfacial energy and preventing the formation of antiphase boundaries.« less

Modelling deuterium release from tungsten after high flux high temperature deuterium plasma exposure

NASA Astrophysics Data System (ADS)

Grigorev, Petr; Matveev, Dmitry; Bakaeva, Anastasiia; Terentyev, Dmitry; Zhurkin, Evgeny E.; Van Oost, Guido; Noterdaeme, Jean-Marie

2016-12-01

Tungsten is a primary candidate for plasma facing materials for future fusion devices. An important safety concern in the design of plasma facing components is the retention of hydrogen isotopes. Available experimental data is vast and scattered, and a consistent physical model of retention of hydrogen isotopes in tungsten is still missing. In this work we propose a model of non-equilibrium hydrogen isotopes trapping under fusion relevant plasma exposure conditions. The model is coupled to a diffusion-trapping simulation tool and is used to interpret recent experiments involving high plasma flux exposures. From the computational analysis performed, it is concluded that high flux high temperature exposures (T = 1000 K, flux = 1024 D/m2/s and fluence of 1026 D/m2) result in generation of sub-surface damage and bulk diffusion, so that the retention is driven by both sub-surface plasma-induced defects (bubbles) and trapping at natural defects. On the basis of the non-equilibrium trapping model we have estimated the amount of H stored in the sub-surface region to be ∼10-5 at-1, while the bulk retention is about 4 × 10-7 at-1, calculated by assuming the sub-surface layer thickness of about 10 μm and adjusting the trap concentration to comply with the experimental results for the integral retention.

Temperature dependence of underdense nanostructure formation in tungsten under helium irradiation

DOE PAGES

Valles, G.; Martin-Bragado, I.; Nordlund, K.; ...

2017-04-19

Recently, tungsten has been found to form a highly underdense nanostructured morphology (“W fuzz”) when bombarded by an intense flux of He ions, but only in the temperature window 900–2000 K. Furthermore, using object kinetic Monte Carlo simulations (pseudo-3D simulations) parameterized from first principles, we show that this temperature dependence can be understood based on He and point defect clustering, cluster growth, and detrapping reactions. At low temperatures (<900 K), fuzz does not grow because almost all He is trapped in very small He-vacancy clusters. At high temperatures (>2300 K), all He is detrapped from clusters, preventing the formation ofmore » the large clusters that lead to fuzz growth in the intermediate temperature range.« less

Vacancy defects in electron-irradiated ZnO studied by Doppler broadening of annihilation radiation

NASA Astrophysics Data System (ADS)

Chen, Z. Q.; Betsuyaku, K.; Kawasuso, A.

2008-03-01

Vacancy defects in ZnO induced by electron irradiation were characterized by the Doppler broadening of annihilation radiation measurements together with the local density approximation calculations. Zinc vacancies (VZn) are responsible for positron trapping in the as-irradiated state. These are annealed out below 200°C . The further annealing at 400°C results in the formation of secondary defects attributed to the complexes composed of zinc vacancies and zinc antisites (VZn-ZnO) .

Modeling Complex Nonlinear Optical Systems

DTIC Science & Technology

2006-07-01

L .k cycycyT kzk kzkkVxV kzkxTzVzTxVV ω β ββ κ 3 trapping cases (GS: ω(v=0) ≈ 0.96) |),,0(| tzxE =+ 2. Trapping into one defect...sech1 2 1 ),(sech2 where ),1)((tanh1 ),5;()()5;()( 22 222 2 22 1 22 21 . ., ., ., .- .k cycycyT kzk kzkkVxV kzkxTzVzTxVV L

Retention and release of hydrogen isotopes in tungsten plasma-facing components: the role of grain boundaries and the native oxide layer from a joint experiment-simulation integrated approach

NASA Astrophysics Data System (ADS)

Hodille, E. A.; Ghiorghiu, F.; Addab, Y.; Založnik, A.; Minissale, M.; Piazza, Z.; Martin, C.; Angot, T.; Gallais, L.; Barthe, M.-F.; Becquart, C. S.; Markelj, S.; Mougenot, J.; Grisolia, C.; Bisson, R.

2017-07-01

Fusion fuel retention (trapping) and release (desorption) from plasma-facing components are critical issues for ITER and for any future industrial demonstration reactors such as DEMO. Therefore, understanding the fundamental mechanisms behind the retention of hydrogen isotopes in first wall and divertor materials is necessary. We developed an approach that couples dedicated experimental studies with modelling at all relevant scales, from microscopic elementary steps to macroscopic observables, in order to build a reliable and predictive fusion reactor wall model. This integrated approach is applied to the ITER divertor material (tungsten), and advances in the development of the wall model are presented. An experimental dataset, including focused ion beam scanning electron microscopy, isothermal desorption, temperature programmed desorption, nuclear reaction analysis and Auger electron spectroscopy, is exploited to initialize a macroscopic rate equation wall model. This model includes all elementary steps of modelled experiments: implantation of fusion fuel, fuel diffusion in the bulk or towards the surface, fuel trapping on defects and release of trapped fuel during a thermal excursion of materials. We were able to show that a single-trap-type single-detrapping-energy model is not able to reproduce an extended parameter space study of a polycrystalline sample exhibiting a single desorption peak. It is therefore justified to use density functional theory to guide the initialization of a more complex model. This new model still contains a single type of trap, but includes the density functional theory findings that the detrapping energy varies as a function of the number of hydrogen isotopes bound to the trap. A better agreement of the model with experimental results is obtained when grain boundary defects are included, as is consistent with the polycrystalline nature of the studied sample. Refinement of this grain boundary model is discussed as well as the inclusion in the model of a thin defective oxide layer following the experimental observation of the presence of an oxygen layer on the surface even after annealing to 1300 K.

Aspects of silicon bulk lifetimes

NASA Technical Reports Server (NTRS)

Landsberg, P. T.

1985-01-01

The best lifetimes attained for bulk crytalline silicon as a function of doping concentrations are analyzed. It is assumed that the dopants which set the Fermi level do not contribute to the recombination traffic which is due to the unknown defect. This defect is assumed to have two charge states: neutral and negative, the neutral defect concentration is frozen-in at some temperature T sub f. The higher doping concentrations should include the band-band Auger effect by using a generalization of the Shockley-Read-Hall (SRH) mechanism. The generalization of the SRH mechanism is discussed. This formulation gives a straightforward procedure for incorporating both band-band and band-trap Auger effects in the SRH procedure. Two related questions arise in this context: (1) it may sometimes be useful to write the steady-state occupation probability of the traps implied by SRH procedure in a form which approximates to the Fermi-Dirac distribution; and (2) the effect on the SRH mechanism of spreading N sub t levels at one energy uniformly over a range of energies is discussed.

Pinning of topological solitons at extrinsic defects in a quasi one-dimensional charge density wave

NASA Astrophysics Data System (ADS)

Razzaq, Samad; Wippermann, Stefan; Tae Hwan Kim Collaboration; Han Woong Yeom Collaboration

Quasi one-dimensional (1D) electronic systems are known to exhibit exotic physical phenomena, such as, e.g., Jahn Teller distortions, charge density wave (CDW) formation and non-Fermi liquid behavior. Solitonic excitations of the charge density wave ordered ground state and associated topological edge states in atomic wires are presently the focus of increasing attention. We carried out a combined ab initio and scanning tunneling microscopy (STM) study of solitonic and non-solitonic phase defects in the In/Si(111) atomic wire array. While free solitons move too fast to be imaged directly in STM, they can become trapped at extrinsic de- fects within the wire. We discuss the detailed atomistic structure of the responsible extrinsic defects and trapped solitons. Our study highlights the key role of coupled theory-experimental investigations in order to understand also the elusive fast moving solitons. S. W. gratefully acknowledges financial support from the German Research Foundation (DFG), Grant No. FOR1700.

Evolution of Defect Structures and Deep Subgap States during Annealing of Amorphous In-Ga-Zn Oxide for Thin-Film Transistors

NASA Astrophysics Data System (ADS)

Jia, Junjun; Suko, Ayaka; Shigesato, Yuzo; Okajima, Toshihiro; Inoue, Keiko; Hosomi, Hiroyuki

2018-01-01

We investigate the evolution behavior of defect structures and the subgap states in In-Ga-Zn oxide (IGZO) films with increasing postannealing temperature by means of extended x-ray absorption fine-structure (EXAFS) measurements, positron annihilation lifetime spectroscopy (PALS), and cathodoluminescence (CL) spectroscopy, aiming to understand the relationship between defect structures and subgap states. EXAFS measurements reveal the varied oxygen coordination numbers around cations during postannealing and confirm two types of point defects, namely, excess oxygen around Ga atoms and oxygen deficiency around In and/or Zn atoms. PALS suggests the existence of cation-vacancy (VM )-related clusters with neutral or negative charge in both amorphous and polycrystalline IGZO films. CL spectra show a main emission band at approximately 1.85 eV for IGZO films, and a distinct shoulder located at about 2.15 eV for IGZO films postannealed above 600 °C . These two emission bands are assigned to a recombination between the electrons in the conduction band and/or in the shallow donor levels near the conduction band and the acceptors trapped above the valence-band maximum. The shallow donors are attributed to the oxygen deficiency, and the acceptors are thought to possibly arise from the excess oxygen or the VM-related clusters. These results open up an alternative route for understanding the device instability of amorphous IGZO-based thin-film transistors, especially the presence of the neutral or negatively charged VM-related clusters in amorphous IGZO films.

Charge transport model in solid-state avalanche amorphous selenium and defect suppression design

NASA Astrophysics Data System (ADS)

Scheuermann, James R.; Miranda, Yesenia; Liu, Hongyu; Zhao, Wei

2016-01-01

Avalanche amorphous selenium (a-Se) in a layer of High Gain Avalanche Rushing Photoconductor (HARP) is being investigated for its use in large area medical imagers. Avalanche multiplication of photogenerated charge requires electric fields greater than 70 V μm-1. For a-Se to withstand this high electric field, blocking layers are used to prevent the injection of charge carriers from the electrodes. Blocking layers must have a high injection barrier and deep trapping states to reduce the electric field at the interface. In the presence of a defect in the blocking layer, a distributed resistive layer (DRL) must be included into the structure to build up space charge and reduce the electric field in a-Se and the defect. A numerical charge transport model has been developed to optimize the properties of blocking layers used in various HARP structures. The model shows the incorporation of a DRL functionality into the p-layer can reduce dark current at a point defect by two orders of magnitude by reducing the field in a-Se to the avalanche threshold. Hole mobility in a DRL of ˜10-8 cm2 V-1 s-1 at 100 V μm-1 as demonstrated by the model can be achieved experimentally by varying the hole mobility of p-type organic or inorganic semiconductors through doping, e.g., using Poly(9-vinylcarbozole) doped with 1%-3% (by weight) of poly(3-hexylthiopene).

Electrostatic particle trap for ion beam sputter deposition

DOEpatents

Vernon, Stephen P.; Burkhart, Scott C.

2002-01-01

A method and apparatus for the interception and trapping of or reflection of charged particulate matter generated in ion beam sputter deposition. The apparatus involves an electrostatic particle trap which generates electrostatic fields in the vicinity of the substrate on which target material is being deposited. The electrostatic particle trap consists of an array of electrode surfaces, each maintained at an electrostatic potential, and with their surfaces parallel or perpendicular to the surface of the substrate. The method involves interception and trapping of or reflection of charged particles achieved by generating electrostatic fields in the vicinity of the substrate, and configuring the fields to force the charged particulate material away from the substrate. The electrostatic charged particle trap enables prevention of charged particles from being deposited on the substrate thereby enabling the deposition of extremely low defect density films, such as required for reflective masks of an extreme ultraviolet lithography (EUVL) system.

Left-right correlation in coupled F-center defects.

PubMed

Janesko, Benjamin G

2016-08-07

This work explores how left-right correlation, a textbook problem in electronic structure theory, manifests in a textbook example of electrons trapped in crystal defects. I show that adjacent F-center defects in lithium fluoride display symptoms of "strong" left-right correlation, symptoms similar to those seen in stretched H2. Simulations of UV/visible absorption spectra qualitatively fail to reproduce experiment unless left-right correlation is taken into account. This is of interest to both the electronic structure theory and crystal-defect communities. Theorists have a new well-behaved system to test their methods. Crystal-defect groups are cautioned that the approximations that successfully model single F-centers may fail for adjacent F-centers.

Defect-Induced Photoluminescence Enhancement and Corresponding Transport Degradation in Individual Suspended Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Wang, Bo; Shen, Lang; Yang, Sisi; Chen, Jihan; Echternach, Juliana; Dhall, Rohan; Kang, DaeJin; Cronin, Stephen

2018-05-01

This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. The utilization of defects in carbon nanotubes to improve their photoluminescence efficiency has become a widespread study of the realization of efficient light-emitting devices. Here, we report a detailed comparison of the defects in nanotubes (quantified by Raman spectroscopy) and photoluminescence (PL) intensity of individual suspended carbon nanotubes (CNTs). We also evaluate the impact of these defects on the electron or hole transport in the nanotubes, which is crucial for the ultimate realization of optoelectronic devices. We find that brightly luminescent nanotubes exhibit a pronounced D-band in their Raman spectra, and vice versa, dimly luminescent nanotubes exhibit almost no D-band. Here, defects are advantageous for light emission by trapping excitons, which extend their lifetimes. We quantify this behavior by plotting the PL intensity as a function of the ID /IG -band Raman intensity ratio, which exhibits a Lorentzian distribution peaked at ID /IG=0.17 . For CNTs with a ID /IG ratio >0.25 , the PL intensity decreases, indicating that above some critical density, nonradiative recombination at defect sites dominates over the advantages of exciton trapping. In an attempt to fabricate optoelectronic devices based on these brightly luminescent CNTs, we transfer these suspended CNTs to platinum electrodes and find that the brightly photoluminescent nanotubes exhibit nearly infinite resistance due to these defects, while those without bright photoluminescence exhibit finite resistance. These findings indicate a potential limitation in the use of brightly luminescent CNTs for optoelectronic applications.

Electron trapping in the photo-induced conductivity decay in GaAs/SnO2 heterostructure

NASA Astrophysics Data System (ADS)

de Freitas Bueno, Cristina; de Andrade Scalvi, Luis Vicente

2018-06-01

The decay of photo-induced conductivity is measured for GaAs/SnO2 heterostructure, after illumination with appropriate wavelength. The top oxide layer is deposited by sol-gel-dip-coating and doped with Eu3+, and the GaAs bottom layer is deposited by resistive evaporation. It shows quite unusual behavior since the decay rate gets slower as the temperature is raised. The trapping by intrabandgap defects in the SnO2 top layer is expected, but a GaAs/SnO2 interface arrest becomes also evident, mainly for temperatures below 100 K. Concerning the SnO2 layer, trapping by different defects is possible, due to the observed distinct capture time range. Besides Eu3+ centers and oxygen vacancies, this sort of heterostructure also leads to Eu3+ agglomerate areas in the SnO2 top layer surface, which may contribute for electron scattering. The electrical behavior reported here aims to contribute for the understanding of the electrical transport mechanisms which, combined with emission from Eu3+ ions from the top layer of the heterostructure, opens new possibilities for optoelectronic devices because samples in the form of films are desirable for circuit integration. The modeling of the photo-induced decay data yields the capture barrier in the range 620-660 meV, and contributes for the defect rules on the electrical properties of this heterostructure.

Intrinsic charge trapping in amorphous oxide films: status and challenges

NASA Astrophysics Data System (ADS)

Strand, Jack; Kaviani, Moloud; Gao, David; El-Sayed, Al-Moatasem; Afanas’ev, Valeri V.; Shluger, Alexander L.

2018-06-01

We review the current understanding of intrinsic electron and hole trapping in insulating amorphous oxide films on semiconductor and metal substrates. The experimental and theoretical evidences are provided for the existence of intrinsic deep electron and hole trap states stemming from the disorder of amorphous metal oxide networks. We start from presenting the results for amorphous (a) HfO2, chosen due to the availability of highest purity amorphous films, which is vital for studying their intrinsic electronic properties. Exhaustive photo-depopulation spectroscopy measurements and theoretical calculations using density functional theory shed light on the atomic nature of electronic gap states responsible for deep electron trapping observed in a-HfO2. We review theoretical methods used for creating models of amorphous structures and electronic structure calculations of amorphous oxides and outline some of the challenges in modeling defects in amorphous materials. We then discuss theoretical models of electron polarons and bi-polarons in a-HfO2 and demonstrate that these intrinsic states originate from low-coordinated ions and elongated metal-oxygen bonds in the amorphous oxide network. Similarly, holes can be captured at under-coordinated O sites. We then discuss electron and hole trapping in other amorphous oxides, such as a-SiO2, a-Al2O3, a-TiO2. We propose that the presence of low-coordinated ions in amorphous oxides with electron states of significant p and d character near the conduction band minimum can lead to electron trapping and that deep hole trapping should be common to all amorphous oxides. Finally, we demonstrate that bi-electron trapping in a-HfO2 and a-SiO2 weakens Hf(Si)–O bonds and significantly reduces barriers for forming Frenkel defects, neutral O vacancies and O2‑ ions in these materials. These results should be useful for better understanding of electronic properties and structural evolution of thin amorphous films under carrier injection conditions.

High-resolution chromatography/time-of-flight MSE with in silico data mining is an information-rich approach to reactive metabolite screening.

PubMed

Barbara, Joanna E; Castro-Perez, Jose M

2011-10-30

Electrophilic reactive metabolite screening by liquid chromatography/mass spectrometry (LC/MS) is commonly performed during drug discovery and early-stage drug development. Accurate mass spectrometry has excellent utility in this application, but sophisticated data processing strategies are essential to extract useful information. Herein, a unified approach to glutathione (GSH) trapped reactive metabolite screening with high-resolution LC/TOF MS(E) analysis and drug-conjugate-specific in silico data processing was applied to rapid analysis of test compounds without the need for stable- or radio-isotope-labeled trapping agents. Accurate mass defect filtering (MDF) with a C-heteroatom dealkylation algorithm dynamic with mass range was compared to linear MDF and shown to minimize false positive results. MS(E) data-filtering, time-alignment and data mining post-acquisition enabled detection of 53 GSH conjugates overall formed from 5 drugs. Automated comparison of sample and control data in conjunction with the mass defect filter enabled detection of several conjugates that were not evident with mass defect filtering alone. High- and low-energy MS(E) data were time-aligned to generate in silico product ion spectra which were successfully applied to structural elucidation of detected GSH conjugates. Pseudo neutral loss and precursor ion chromatograms derived post-acquisition demonstrated 50.9% potential coverage, at best, of the detected conjugates by any individual precursor or neutral loss scan type. In contrast with commonly applied neutral loss and precursor-based techniques, the unified method has the advantage of applicability across different classes of GSH conjugates. The unified method was also successfully applied to cyanide trapping analysis and has potential for application to alternate trapping agents. Copyright © 2011 John Wiley & Sons, Ltd.

Reduction in interface defect density in p-BaSi2/n-Si heterojunction solar cells by a modified pretreatment of the Si substrate

NASA Astrophysics Data System (ADS)

Yamashita, Yudai; Yachi, Suguru; Takabe, Ryota; Sato, Takuma; Emha Bayu, Miftahullatif; Toko, Kaoru; Suemasu, Takashi

2018-02-01

We have investigated defects that occurred at the interface of p-BaSi2/n-Si heterojunction solar cells that were fabricated by molecular beam epitaxy. X-ray diffraction measurements indicated that BaSi2 (a-axis-oriented) was subjected to in-plane compressive strain, which relaxed when the thickness of the p-BaSi2 layer exceeded 50 nm. Additionally, transmission electron microscopy revealed defects in the Si layer near steps that were present on the Si(111) substrate. Deep level transient spectroscopy revealed two different electron traps in the n-Si layer that were located at 0.33 eV (E1) and 0.19 eV (E2) below the conduction band edge. The densities of E1 and E2 levels in the region close to the heterointerface were approximately 1014 cm-3. The density of these electron traps decreased below the limits of detection following Si pretreatment to remove the oxide layers from the n-Si substrate, which involved heating the substrate to 800 °C for 30 min under ultrahigh vacuum while depositing a layer of Si (1 nm). The remaining traps in the n-Si layer were hole traps located at 0.65 eV (H1) and 0.38 eV (H2) above the valence band edge. Their densities were as low as 1010 cm-3. Following pretreatment, the current versus voltage characteristics of the p-BaSi2/n-Si solar cells under AM1.5 illumination were reproducible with conversion efficiencies beyond 5% when using a p-BaSi2 layer thickness of 100 nm. The origin of the H2 level is discussed.

Microstructure and conductance-slope of InAs/GaSb tunnel diodes

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

Iutzi, Ryan M., E-mail: iutzi@mit.edu; Fitzgerald, Eugene A.

2014-06-21

InAs/GaSb and similar materials systems have generated great interest as a heterojunction for tunnel field effect transistors (TFETs) due to favorable band alignment. However, little is currently understood about how such TFETs are affected by materials defects and nonidealities. We present measurements of the conductance slope for various InAs/GaSb heterojunctions via two-terminal electrical measurements, which removes three-terminal parasitics and enables direct study on the effect of microstructure on tunnelling. Using this, we can predict how subthreshold swings in TFETs can depend on microstructure. We also demonstrate growth and electrical characterization for structures grown by metalorganic chemical vapor deposition (MOCVD)—a generallymore » more scalable process compared with molecular beam epitaxy (MBE). We determine that misfit dislocations and point defects near the interface can lead to energy states in the band-gap and local band bending that result in trap-assisted leakage routes and nonuniform band alignment across the junction area that lower the steepness of the conductance slope. Despite the small lattice mismatch, misfit dislocations still form in InAs on GaSb due to relaxation as a result of large strain from intermixed compositions. This can be circumvented by growing GaSb on InAs, straining the GaSb underlayer, or lowering the InAs growth temperature in the region of the interface. The conductance slope can also be improved by annealing the samples at higher temperatures, which we believe acts to annihilate point defects and average out major fluctuations in band alignment across the interface. Using a combination of these techniques, we can greatly improve the steepness of the conductance slope which could result in steeper subthreshold swings in TFETs in the future.« less

Structural vs. intrinsic carriers: contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores

DOE PAGES

Perriot, Romain; Uberuaga, Blas P.

2015-04-21

We use molecular dynamics simulations to investigate the role of cation disorder on oxygen diffusion in Gd 2Zr 2O 7 (GZO) and Gd 2Ti 2O 7 (GTO) pyrochlores, a class of complex oxides which contain a structural vacancy relative to the basic fluorite structure. The introduction of disorder has distinct effects depending on the chemistry of the material, increasing the mobility of structural carriers by up to four orders of magnitude in GZO. In contrast, in GTO, there is no mobility at zero or low disorder on the ns timescale, but higher disorder liberates the otherwise immobile carriers, allowing diffusionmore » with rates comparable to GZO for the fully disordered material. Here, we show that the cation disorder enhances the diffusivity by both increasing the concentration of mobile structural carriers and their individual mobility. The disorder also influences the diffusion in materials containing intrinsic carriers, such as additional vacancies VO or oxygen interstitials OI. And while in ordered GZO and GTO the contribution of the intrinsic carriers dominates the overall diffusion of oxygen, OI in GZO contributes along with structural carriers, and the total diffusion rate can be calculated by assuming simple additive contributions from the two sources. Although the disorder in the materials with intrinsic defects usually enhances the diffusivity as in the defect-free case, in low concentrations, cation antisites AB or BA, where A = Gd and B = Zr or Ti, can act as traps for fast intrinsic defects. The trapping results in a lowering of the diffusivity, and causes a non-monotonic behavior of the diffusivity with disorder. Conversely, in the case of slow intrinsic defects, the main effect of the disorder is to liberate the structural carriers, resulting in an increase of the diffusivity regardless of the defect trapping.« less

Free energy landscape and localization of nanoparticles at block copolymer model defects.

PubMed

Kim, Yongjoo; Chen, Hsieh; Alexander-Katz, Alfredo

2014-05-14

Nanoparticle localization in block copolymer model defects is studied using self-consistent field theory simulations. In particular we study the nanoparticle free energy landscape for three different model defects: X, T, Y shape defects. Our results indicate that nanoparticles can be strongly bound to certain locations in these defects. The symmetry of the defects affects in a non-trivial fashion the "stiffness of the trap", with the X shape defect displaying the deepest energy well. The T and Y defects exhibit orientations along which the potential energy well is rather shallow. Furthermore, we find that the free energy well is tunable by the size of the nanoparticles. Our results help to explain recent experimental observations in block copolymer templated assembly of nanoparticles. Furthermore, they may open new avenues to assemble arbitrary heterogeneous patterns with precise nanoparticle positions by carefully controlling the morphology of a block copolymer system by using directed self-assembly techniques.

Low voltage-driven oxide phototransistors with fast recovery, high signal-to-noise ratio, and high responsivity fabricated via a simple defect-generating process

PubMed Central

Yun, Myeong Gu; Kim, Ye Kyun; Ahn, Cheol Hyoun; Cho, Sung Woon; Kang, Won Jun; Cho, Hyung Koun; Kim, Yong-Hoon

2016-01-01

We have demonstrated that photo-thin film transistors (photo-TFTs) fabricated via a simple defect-generating process could achieve fast recovery, a high signal to noise (S/N) ratio, and high sensitivity. The photo-TFTs are inverted-staggered bottom-gate type indium-gallium-zinc-oxide (IGZO) TFTs fabricated using atomic layer deposition (ALD)-derived Al2O3 gate insulators. The surfaces of the Al2O3 gate insulators are damaged by ion bombardment during the deposition of the IGZO channel layers by sputtering and the damage results in the hysteresis behavior of the photo-TFTs. The hysteresis loops broaden as the deposition power density increases. This implies that we can easily control the amount of the interface trap sites and/or trap sites in the gate insulator near the interface. The photo-TFTs with large hysteresis-related defects have high S/N ratio and fast recovery in spite of the low operation voltages including a drain voltage of 1 V, positive gate bias pulse voltage of 3 V, and gate voltage pulse width of 3 V (0 to 3 V). In addition, through the hysteresis-related defect-generating process, we have achieved a high responsivity since the bulk defects that can be photo-excited and eject electrons also increase with increasing deposition power density. PMID:27553518

Intrinsic electron traps in atomic-layer deposited HfO{sub 2} insulators

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

Cerbu, F.; Madia, O.; Afanas'ev, V. V.

2016-05-30

Analysis of photodepopulation of electron traps in HfO{sub 2} films grown by atomic layer deposition is shown to provide the trap energy distribution across the entire oxide bandgap. The presence is revealed of two kinds of deep electron traps energetically distributed at around E{sub t} ≈ 2.0 eV and E{sub t} ≈ 3.0 eV below the oxide conduction band. Comparison of the trapped electron energy distributions in HfO{sub 2} layers prepared using different precursors or subjected to thermal treatment suggests that these centers are intrinsic in origin. However, the common assumption that these would implicate O vacancies cannot explain the charging behaviormore » of HfO{sub 2}, suggesting that alternative defect models should be considered.« less

Effect of post-implantation annealing on Al-N isoelectronic trap formation in silicon: Al-N pair formation and defect recovery mechanisms

NASA Astrophysics Data System (ADS)

Mori, Takahiro; Morita, Yukinori; Matsukawa, Takashi

2018-05-01

The effect of post-implantation annealing (PIA) on Al-N isoelectronic trap (IET) formation in silicon has been experimentally investigated to discuss the Al-N IET formation and implantation-induced defect recovery mechanisms. We performed a photoluminescence study, which indicated that self-interstitial clusters and accompanying vacancies are generated in the ion implantation process. It is supposed that Al and N atoms move to the vacancy sites and form stable Al-N pairs in the PIA process. Furthermore, the PIA process recovers self-interstitial clusters while transforming their atomic configuration. The critical temperature for the formation/dissociation of Al-N pairs was found to be 450 °C, with which we describe the process integration for devices utilizing Al-N IET technology.

Observation of interface defects in thermally oxidized SiC using positron annihilation

NASA Astrophysics Data System (ADS)

Dekker, James; Saarinen, Kimmo; Ólafsson, Halldór; Sveinbjörnsson, Einar Ö.

2003-03-01

Positron annihilation has been applied to study thermally oxidized 4H- and 6H-SiC. The SiC/SiO2 interface is found to contain a high density of open-volume defects. The positron trapping at the interface defects correlates with the charge of the interface determined by capacitance-voltage experiments. For oxides grown on n-SiC substrates, the positron annihilation characteristics at these defects are nearly indistinguishable from those of a silicon/oxide interface, with no discernable contribution from C-related bonds or carbon clusters. These results indicate that those defects at the SiC/oxide interface, which are visible to positrons, are similar to those at the Si/oxide interface. The positron annihilation characteristics suggest that these defects are vacancies surrounded by oxygen atoms.

Positron-annihilation 2D-ACAR studies of disordered and defected alloys

NASA Astrophysics Data System (ADS)

Bansil, A.; Prasad, R.; Smedskjaer, L. C.; Benedek, R.; Mijnarends, P. E.

1987-09-01

Theoretical and experimental progess in connection with 2D-ACAR positron annihilation studies of ordered, disordered, and defected alloys is discussed. We present, in particular, some of the recent developments concerning the electronic structure of disordered alloys, and the work in the area of annihilation from positrons trapped at vacancy-type defects in metals and alloys. The electronic structure and properties of a number of compounds are also discussed briefly; we comment specifically on high T sub c ceramic superconductors, Heusler alloys, and transition-metal aluminides.

Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles

NASA Astrophysics Data System (ADS)

Lindström, A.; Klintenberg, M.; Sanyal, B.; Mirbt, S.

2015-08-01

The coexistence in Te-rich CdTe of substitutional Cl-dopants, ClTe, which act as donors, and Cd vacancies, VC d - 1 , which act as electron traps, was studied from first principles utilising the HSE06 hybrid functional. We find ClTe to preferably bind to VC d - 1 and to form an acceptor complex, (ClTe-VCd)-1. The complex has a (0,-1) charge transfer level close to the valence band and shows no trap state (deep level) in the band gap. During the complex formation, the defect state of VCd-1 is annihilated and leaves the Cl-doped CdTe bandgap without any trap states (self-purification). We calculate Cl-doped CdTe to be semi-insulating with a Fermi energy close to midgap. We calculate the formation energy of the complex to be sufficiently low to allow for spontanous defect formation upon Cl-doping (self-compensation). In addition, we quantitatively analyse the geometries, DOS, binding energies and formation energies of the (ClTe-VCd) complexes.

Studies of O18 impurity trapping at interstitial dislocation loops in ion implanted Fe (1 1 0) by ion channeling and ab initio calculations

NASA Astrophysics Data System (ADS)

Mathayan, Vairavel; Kothalamuthu, Saravanan; Gnanasekaran, Jaiganesh; Balakrishnan, Sundaravel; Panigrahi, Binaykumar

2018-01-01

The O18 and self ions are implanted at same depth in Fe (1 1 0) crystal and annealed to study the oxygen trapping under excess self interstitial defects. Rutherford backscattering spectrometry, nuclear reaction analysis and channeling measurements have been performed to determine the lattice site position of O18. The presence of dislocation loops is confirmed by energy-dependent dechanneling parameter measurements. From the tilt angular scans of Fe and O18 signals along 〈1 0 0〉, 〈1 1 0〉 axes, O18 is found to be displaced 0.2 Å from tetrahedral towards octahedral interstitial site in O18. Similar lattice site location of oxygen with the displacement of 0.37 Å is predicted by density functional theory calculations for the interaction of oxygen with 〈1 0 0〉 interstitial dislocation loop structure. Our results provide strong evidence on oxygen trapping at interstitial dislocation loops in the presence of excess interstitial defects in iron.

Controlled Synthesis and Understanding of Growth Mechanism – Parameters for Atmospheric Pressure Hydrothermal Synthesis of Ultrathin Secondary ZnO Nanowires

DOE PAGES

Jiao, Mingzhi; Nguyen, Duc; Nguyen, Van; ...

2015-11-10

We measured luminescence and scintillation in ZnO single crystals by photoluminescence and X-ray-induced luminescence (XRIL). XRIL allowed a direct comparison to be made between the near-band emission (NBE) and trap emissions providing insight into the carrier recombination efficiency in the ZnO crystals. In the origin of green emission, the dominant trap emission in ZnO, was investigated by gamma-induced positron spectroscopy (GIPS) - a unique defect spectroscopy method that enables positron lifetime measurements to be made for a sample without contributions from positron annihilation in the source materials or the surroundings. Moreover, the measurements showed the absence of positron traps inmore » the crystals and yielded a bulk positron lifetime value that is in complete agreement with the predicted theoretical value = thereby confirming the advantage of the GIPS method. By combining scintillation measurements with XRIL, the fast scintillation in ZnO crystals was found to be strongly correlated with the ratio between the defect luminescence and NBE.« less

Interfacial Charge-Carrier Trapping in CH3NH3PbI3-Based Heterolayered Structures Revealed by Time-Resolved Photoluminescence Spectroscopy.

PubMed

Yamada, Yasuhiro; Yamada, Takumi; Shimazaki, Ai; Wakamiya, Atsushi; Kanemitsu, Yoshihiko

2016-06-02

The fast-decaying component of photoluminescence (PL) under very weak pulse photoexcitation is dominated by the rapid relaxation of the photoexcited carriers into a small number of carrier-trapping defect states. Here, we report the subnanosecond decay of the PL under excitation weaker than 1 nJ/cm(2) both in CH3NH3PbI3-based heterostructures and bare thin films. The trap-site density at the interface was evaluated on the basis of the fluence-dependent PL decay profiles. It was found that high-density defects determining the PL decay dynamics are formed near the interface between CH3NH3PbI3 and the hole-transporting Spiro-OMeTAD but not at the CH3NH3PbI3/TiO2 interface and the interior regions of CH3NH3PbI3 films. This finding can aid the fabrication of high-quality heterointerfaces, which are required improving the photoconversion efficiency of perovskite-based solar cells.

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

Kawase, Kazumasa, E-mail: Kawase.Kazumasa@ak.MitsubishiElectric.co.jp; Motoya, Tsukasa; Uehara, Yasushi

Silicon dioxide (SiO{sub 2}) films formed by chemical vapor deposition (CVD) have been treated with Ar plasma excited by microwave. The changes of the mass densities, carrier trap densities, and thicknesses of the CVD-SiO{sub 2} films with the Ar plasma treatments were investigated. The mass density depth profiles were estimated with X-Ray Reflectivity (XRR) analysis using synchrotron radiation. The densities of carrier trap centers due to defects of Si-O bond network were estimated with X-ray Photoelectron Spectroscopy (XPS) time-dependent measurement. The changes of the thicknesses due to the oxidation of Si substrates were estimated with the XRR and XPS. Themore » mass densities of the CVD-SiO{sub 2} films are increased by the Ar plasma treatments. The carrier trap densities of the films are decreased by the treatments. The thicknesses of the films are not changed by the treatments. It has been clarified that the mass densification and defect restoration in the CVD-SiO{sub 2} films are caused by the Ar plasma treatments without the oxidation of the Si substrates.« less

Left-right correlation in coupled F-center defects

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

Janesko, Benjamin G., E-mail: b.janesko@tcu.edu

This work explores how left-right correlation, a textbook problem in electronic structure theory, manifests in a textbook example of electrons trapped in crystal defects. I show that adjacent F-center defects in lithium fluoride display symptoms of “strong” left-right correlation, symptoms similar to those seen in stretched H{sub 2}. Simulations of UV/visible absorption spectra qualitatively fail to reproduce experiment unless left-right correlation is taken into account. This is of interest to both the electronic structure theory and crystal-defect communities. Theorists have a new well-behaved system to test their methods. Crystal-defect groups are cautioned that the approximations that successfully model single F-centersmore » may fail for adjacent F-centers.« less

Study on the intrinsic defects in tin oxide with first-principles method

NASA Astrophysics Data System (ADS)

Sun, Yu; Liu, Tingyu; Chang, Qiuxiang; Ma, Changmin

2018-04-01

First-principles and thermodynamic methods are used to study the contribution of vibrational entropy to defect formation energy and the stability of the intrinsic point defects in SnO2 crystal. According to thermodynamic calculation results, the contribution of vibrational entropy to defect formation energy is significant and should not be neglected, especially at high temperatures. The calculated results indicate that the oxygen vacancy is the major point defect in undoped SnO2 crystal, which has a higher concentration than that of the other point defect. The property of negative-U is put forward in SnO2 crystal. In order to determine the most stable defects much clearer under different conditions, the most stable intrinsic defect as a function of Fermi level, oxygen partial pressure and temperature are described in the three-dimensional defect formation enthalpy diagrams. The diagram visually provides the most stable point defects under different conditions.

Multi-level modeling of total ionizing dose in a-silicon dioxide: First principles to circuits

NASA Astrophysics Data System (ADS)

Nicklaw, Christopher J.

Oxygen vacancies have long been known to be the dominant intrinsic defect in amorphous SiO2. They exist, in concentrations dependent on processing conditions, as neutral defects in thermal oxides without usually causing any significant deleterious effects, with some spatial and energy distribution. During irradiation they can capture holes and become positively charged E '-centers, contributing to device degradation. Over the years, a considerable database has been amassed on the dynamics of E' -centers in bulk SiO2 films, and near the interface under different irradiation and annealing conditions. Theoretical calculations so far have revealed the basic properties of prototype oxygen vacancies, primarily as they behave in either a crystalline quartz environment, or in small clusters that serve as a substitute for a real amorphous structure. To date at least three categories of E'-centers, existing at or above room temperature, have been observed in SiO2. The unifying feature is an unpaired electron on a threefold coordinated silicon atom, having the form O3 ≡ Si·. Feigl et al. identified the E'1 -center in crystalline quartz as a trapped hole on an oxygen vacancy, which causes an asymmetrical relaxation, resulting in a paramagnetic center. The unpaired electron in the E'1 -center is localized on the three-fold coordinated Si atoms, while the hole is localized on the other Si atom. Results from an ab initio statistical simulation examination of the behaviors of oxygen vacancies, within amorphous structures, identify a new form of the E'-center, the E'g5 and help in the understanding of the underlying physical mechanisms involved in switched-bias annealing, and electron paramagnetic resonance (EPR) studies. The results also suggest a common border trap, induced by trapped holes in SiO2, is a hole trapped at an oxygen vacancy defect, which can be compensated by an electron, as originally proposed by Lelis and co-workers at Harry Diamond Laboratories. This dissertation provides new insights into the basic mechanisms of a-SiO2 defects, and provides a link between basic mechanisms and Electronic Design Automation (EDA) tools, providing an enhanced design flow for radiation-resistant electronics.

Defect characterization in Mg-doped GaN studied using a monoenergetic positron beam

NASA Astrophysics Data System (ADS)

Uedono, A.; Ishibashi, S.; Tenjinbayashi, K.; Tsutsui, T.; Nakahara, K.; Takamizu, D.; Chichibu, S. F.

2012-01-01

Vacancy-type defects in Mg-doped GaN grown by metalorganic vapor phase epitaxy were probed using a monoenergetic positron beam. For a sample fabricated with a high H2-flow rate, before post-growth annealing the major defect species detected by positrons was identified as vacancy-clusters. Evidence suggested that other donor-type defects such as nitrogen vacancies also existed. The defects increased the Fermi level position, and enhanced the diffusion of positrons toward the surface. The annihilation of positrons at the top surface was suppressed by Mg-doping. This was attributed to the introduction of a subsurface layer (<6 nm) with a low defect concentration, where the Fermi level position was considered to decrease due to partial activation of Mg. For samples after annealing, the trapping of positrons by residual vacancy-type defects was observed, and the sample crystal quality was found to depend on that before annealing.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Dipole oscillations of a Bose-Einstein condensate in the presence of defects and disorder.

PubMed

Albert, M; Paul, T; Pavloff, N; Leboeuf, P

2008-06-27

We consider dipole oscillations of a trapped dilute Bose-Einstein condensate in the presence of a scattering potential consisting either in a localized defect or in an extended disordered potential. In both cases the breaking of superfluidity and the damping of the oscillations are shown to be related to the appearance of a nonlinear dissipative flow. At supersonic velocities the flow becomes asymptotically dissipationless.

Electrical characterization and comparison of CIGS solar cells made with different structures and fabrication techniques

DOE PAGES

Garris, Rebekah L.; Johnston, Steven; Li, Jian V.; ...

2017-08-31

In a previous study, we reported on Cu(In,Ga)Se2-based (CIGS) solar cell samples collected from different research laboratories and industrial companies with the purpose of understanding the range of CIGS materials that can lead to high-quality and high-efficiency solar panels. Here, we report on electrical measurements of those same samples. Electron-beam induced current and time-resolved photoluminescence (TRPL) gave insights about the collection probability and the lifetime of carriers generated in each absorber. Capacitance and drive-level capacitance profiling revealed nonuniformity in carrier-density profiles. Admittance spectroscopy revealed small activation energies (= 0.03 eV) indicative of the inversion strength, larger activation energies (> 0.1more » eV) reflective of thermal activation of absorber conductivity and a deeper defect level. Deep-level transient spectroscopy (DLTS) probed deep hole-trapping defects and showed that all samples in this study had a majority-carrier defect with activation energy between 0.3 eV and 0.9 eV. Optical-DLTS revealed deep electron-trapping defects in several of the CIGS samples. This work focused on revealing similarities and differences between high-quality CIGS solar cells made with various structures and fabrication techniques.« less

Electrical characterization and comparison of CIGS solar cells made with different structures and fabrication techniques

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

Garris, Rebekah L.; Johnston, Steven; Li, Jian V.

In a previous study, we reported on Cu(In,Ga)Se2-based (CIGS) solar cell samples collected from different research laboratories and industrial companies with the purpose of understanding the range of CIGS materials that can lead to high-quality and high-efficiency solar panels. Here, we report on electrical measurements of those same samples. Electron-beam induced current and time-resolved photoluminescence (TRPL) gave insights about the collection probability and the lifetime of carriers generated in each absorber. Capacitance and drive-level capacitance profiling revealed nonuniformity in carrier-density profiles. Admittance spectroscopy revealed small activation energies (= 0.03 eV) indicative of the inversion strength, larger activation energies (> 0.1more » eV) reflective of thermal activation of absorber conductivity and a deeper defect level. Deep-level transient spectroscopy (DLTS) probed deep hole-trapping defects and showed that all samples in this study had a majority-carrier defect with activation energy between 0.3 eV and 0.9 eV. Optical-DLTS revealed deep electron-trapping defects in several of the CIGS samples. This work focused on revealing similarities and differences between high-quality CIGS solar cells made with various structures and fabrication techniques.« less

Formation Energies of Native Point Defects in Strained-Layer Superlattices (Postprint)

DTIC Science & Technology

2017-06-05

AFRL-RX-WP-JA-2017-0217 FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES (POSTPRINT) Zhi-Gang Yu...2016 Interim 11 September 2013 – 5 November 2016 4. TITLE AND SUBTITLE FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES...native point defect (NPD) formation energies and absence of mid-gap levels. In this Letter we use first-principles calculations to study the formation

Formation Energies of Native Point Defects in Strained layer Superlattices (Postprint)

DTIC Science & Technology

2017-06-05

AFRL-RX-WP-JA-2017-0440 FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES (POSTPRINT) Zhi Gang Yu...2017 Interim 11 September 2013 – 31 May 2017 4. TITLE AND SUBTITLE FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES...Hamiltonian, tight-binding Hamiltonian, and Green’s function techniques to obtain energy levels arising from native point defects (NPDs) in InAs-GaSb and

Model for the Operation of a Monolayer MoS2 Thin-Film Transistor with Charges Trapped near the Channel Interface

NASA Astrophysics Data System (ADS)

Hur, Ji-Hyun; Park, Junghak; Kim, Deok-kee; Jeon, Sanghun

2017-04-01

We propose a model that describes the operation characteristics of a two-dimensional electron gas (2DEG) in a monolayer transition-metal dichalcogenide thin-film transistor (TFT) having trapped charges near the channel interface. We calculate the drift mobility of the carriers scattered by charged defects located in the channel or near the channel interfaces. The calculated drift mobility is a function of the 2DEG areal density of interface traps. Finally, we calculate the model transfer (ID-VG S ) and output (ID-VS D ) characteristics and verify them by comparing with the experimental results performed with monolayer MoS2 TFTs. We find the modeled results to be excellently consistent with the experiments. This proposed model can be utilized for measuring the interface-trapped charge and trap site densities from the measured transfer curves directly, avoiding more complicated and expensive measurement methods.

Relevance of non-equilibrium defect generation processes to resistive switching in TiO{sub 2}

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

Abdelouahed, Samir; McKenna, Keith P., E-mail: keith.mckenna@york.ac.uk

First principles calculations are employed to identify atomistic pathways for the generation of vacancy-interstitial pair defects in TiO{sub 2}. We find that the formation of both oxygen and titanium defects induces a net dipole moment indicating that their formation can be assisted by an electric field. We also show that the activation barrier to formation of an oxygen vacancy defect can be reduced by trapping of holes which may be injected by the electrode. The calculated activation energies suggest that generation of titanium defects is more favorable than generation oxygen defects although activation energies in both cases are relatively highmore » (>3.3 eV). These results provide much needed insight into an issue that has been widely debated but for which little definitive experimental information is available.« less

Methylfolate Trap Promotes Bacterial Thymineless Death by Sulfa Drugs

PubMed Central

Pham, Thanh H.; Jakubowski, Hieronim; Wolff, Kerstin A.; Ogwang, Sam; Timpona, Joseph L.; Gogula, Soumya; Jacobs, Michael R.; Ruetz, Markus; Kräutler, Bernhard; Jacobsen, Donald W.; Zhang, Guo-Fang; Nguyen, Liem

2016-01-01

The methylfolate trap, a metabolic blockage associated with anemia, neural tube defects, Alzheimer’s dementia, cardiovascular diseases, and cancer, was discovered in the 1960s, linking the metabolism of folate, vitamin B12, methionine and homocysteine. However, the existence or physiological significance of this phenomenon has been unknown in bacteria, which synthesize folate de novo. Here we identify the methylfolate trap as a novel determinant of the bacterial intrinsic death by sulfonamides, antibiotics that block de novo folate synthesis. Genetic mutagenesis, chemical complementation, and metabolomic profiling revealed trap-mediated metabolic imbalances, which induced thymineless death, a phenomenon in which rapidly growing cells succumb to thymine starvation. Restriction of B12 bioavailability, required for preventing trap formation, using an “antivitamin B12” molecule, sensitized intracellular bacteria to sulfonamides. Since boosting the bactericidal activity of sulfonamides through methylfolate trap induction can be achieved in Gram-negative bacteria and mycobacteria, it represents a novel strategy to render these pathogens more susceptible to existing sulfonamides. PMID:27760199

Lithium-ion drifting: Application to the study of point defects in floating-zone silicon

NASA Technical Reports Server (NTRS)

Walton, J. T.; Wong, Y. K.; Zulehner, W.

1997-01-01

The use of lithium-ion (Li(+)) drifting to study the properties of point defects in p-type Floating-Zone (FZ) silicon crystals is reported. The Li(+) drift technique is used to detect the presence of vacancy-related defects (D defects) in certain p-type FZ silicon crystals. SUPREM-IV modeling suggests that the silicon point defect diffusivities are considerably higher than those commonly accepted, but are in reasonable agreement with values recently proposed. These results demonstrate the utility of Li(+) drifting in the study of silicon point defect properties in p-type FZ crystals. Finally, a straightforward measurement of the Li(+) compensation depth is shown to yield estimates of the vacancy-related defect concentration in p-type FZ crystals.

Point defects in Cd(Zn)Te and TlBr: Theory

NASA Astrophysics Data System (ADS)

Lordi, Vincenzo

2013-09-01

The effects of various crystal defects on the performances of CdTe, CdZnxTe (CZT), and TlBr for room-temperature high-energy radiation detection are examined using first-principles theoretical methods. The predictive, parameter-free, atomistic approaches used provide fundamental understanding of defect properties that are difficult to measure and also allow rapid screening of possibilities for material engineering, such as optimal doping and annealing conditions. Several recent examples from the author's work are reviewed, including: (i) accurate calculations of the thermodynamic and electronic properties of native point defects and point defect complexes in CdTe and CZT; (ii) the effects of Zn alloying on the native point defect properties in CZT; (iii) point defect diffusion and binding leading to Te clustering in Cd(Zn)Te; (iv) the profound effect of native point defects—principally vacancies—on the intrinsic material properties of TlBr, particularly its electronic and ionic conductivity; and (v) a study on doping TlBr to independently control the electronic and ionic conductivity.

Quadrupole ion traps and trap arrays: geometry, material, scale, performance.

PubMed

Ouyang, Z; Gao, L; Fico, M; Chappell, W J; Noll, R J; Cooks, R G

2007-01-01

Quadrupole ion traps are reviewed, emphasizing recent developments, especially the investigation of new geometries, guided by multiple particle simulations such as the ITSIM program. These geometries include linear ion traps (LITs) and the simplified rectilinear ion trap (RIT). Various methods of fabrication are described, including the use of rapid prototyping apparatus (RPA), in which 3D objects are generated through point-by-point laser polymerization. Fabrication in silicon using multilayer semi-conductor fabrication techniques has been used to construct arrays of micro-traps. The performance of instruments containing individual traps as well as arrays of traps of various sizes and geometries is reviewed. Two types of array are differentiated. In the first type, trap arrays constitute fully multiplexed mass spectrometers in which multiple samples are examined using multiple sources, analyzers and detectors, to achieve high throughput analysis. In the second, an array of individual traps acts collectively as a composite trap to increase trapping capacity and performance for a single sample. Much progress has been made in building miniaturized mass spectrometers; a specific example is a 10 kg hand-held tandem mass spectrometer based on the RIT mass analyzer. The performance of this instrument in air and water analysis, using membrane sampling, is described.

On the empirical determination of positron trapping coefficient at nano-scale helium bubbles in steels irradiated in spallation target

NASA Astrophysics Data System (ADS)

Krsjak, Vladimir; Kuriplach, Jan; Vieh, Christiane; Peng, Lei; Dai, Yong

2018-06-01

In the present work, the specific positron trapping rate of small helium bubbles was empirically derived from positron annihilation lifetime spectroscopy (PALS) and transmission electron microscopy (TEM) studies of Fe9Cr martensitic steels. Both techniques are well known to be sensitive to nanometer-sized helium-filled cavities induced during irradiation in a mixed proton-neutron spectrum of spallation target. Complementary TEM and PALS studies show that positrons are being trapped to these defects at a rate of 1.2 ± 0.8 × 10-14 m3s-1. This suggests that helium bubbles in ferritic/martensitic steels are attractive traps for positrons comparable to mono-vacancies and quantitative analysis of the bubbles by PALS technique is plausible.

The thyroid hormone receptor-associated protein TRAP220 is required at distinct embryonic stages in placental, cardiac, and hepatic development.

PubMed

Landles, Christian; Chalk, Sara; Steel, Jennifer H; Rosewell, Ian; Spencer-Dene, Bradley; Lalani, El-Nasir; Parker, Malcolm G

2003-12-01

Recent work indicates that thyroid hormone receptor-associated protein 220 (TRAP220), a subunit of the multiprotein TRAP coactivator complex, is essential for embryonic survival. We have generated TRAP220 conditional null mice that are hypomorphic and express the gene at reduced levels. In contrast to TRAP220 null mice, which die at embryonic d 11.5 (E11.5), hypomorphic mice survive until E13.5. The reduced expression in hypomorphs results in hepatic necrosis, defects in hematopoiesis, and hypoplasia of the ventricular myocardium, similar to that observed in TRAP220 null embryos at an earlier stage. The embryonic lethality of null embryos at E11.5 is due to placental insufficiency. Tetraploid aggregation assays partially rescues embryonic development until E13.5, when embryonic loss occurs due to hepatic necrosis coupled with poor myocardial development as observed in hypomorphs. These findings demonstrate that, for normal placental function, there is an absolute requirement for TRAP220 in extraembryonic tissues at E11.5, with an additional requirement in embryonic tissues for hepatic and cardiovascular development thereafter.

Dynamic analysis of trapping and escaping in dual beam optical trap

NASA Astrophysics Data System (ADS)

Li, Wenqiang; Hu, Huizhu; Su, Heming; Li, Zhenggang; Shen, Yu

2016-10-01

In this paper, we simulate the dynamic movement of a dielectric sphere in optical trap. This dynamic analysis can be used to calibrate optical forces, increase trapping efficiency and measure viscous coefficient of surrounding medium. Since an accurate dynamic analysis is based on a detailed force calculation, we calculate all forces a sphere receives. We get the forces of dual-beam gradient radiation pressure on a micron-sized dielectric sphere in the ray optics regime and utilize Einstein-Ornstein-Uhlenbeck to deal with its Brownian motion forces. Hydrodynamic viscous force also exists when the sphere moves in liquid. Forces from buoyance and gravity are also taken into consideration. Then we simulate trajectory of a sphere when it is subject to all these forces in a dual optical trap. From our dynamic analysis, the sphere can be trapped at an equilibrium point in static water, although it permanently fluctuates around the equilibrium point due to thermal effects. We go a step further to analyze the effects of misalignment of two optical traps. Trapping and escaping phenomena of the sphere in flowing water are also simulated. In flowing water, the sphere is dragged away from the equilibrium point. This dragging distance increases with the decrease of optical power, which results in escaping of the sphere with optical power below a threshold. In both trapping and escaping process we calculate the forces and position of the sphere. Finally, we analyze a trapping region in dual optical tweezers.

A study of trap-limited conduction influenced by plasma damage on the source/drain regions of amorphous InGaZnO TFTs

NASA Astrophysics Data System (ADS)

Hsu, Chih-Chieh; Sun, Jhen-Kai; Wu, Chien-Hsun

2015-11-01

This study investigated electrical characteristics and stability variations of amorphous indium gallium zinc oxide thin film transistors (a-IGZO TFTs) with plasma damage on their source/drain (S/D) regions. The influence of the plasma damage on the TFT performance is absent as the channel length is 36-100 μm. When the channel length is decreased to 3-5 μm, the mobility (μ ) of the bottom gate TFT (BG TFT) with plasma damage is significantly degraded to 0.6 cm2 (V s)-1, which is much lower than 4.3 cm2 (V s)-1 of a damage-free BG TFT. We utilized the TFT passivation layer and the indium tin oxide (ITO), which was used as the pixel electrode material in the TFT backplane, to be the top gate insulator and top gate electrode of the defective BG TFT to obtain the defective dual-gate TFT. The mobility can be restored to 5.1 cm2 (V s)-1. Additional process steps are not required. Besides, this method is easily implemented and is fully compatible with TFT backplane fabrication process. The transfer curves, hysteresis characteristics, stabilities under constant voltage stress and constant current stress tests were measured to give evidences that the traps created by the plasma damage on the S/D regions indeed can affect electron transport. This trap-limited conduction can be improved by using the top gate. It was proven that the top gate was not for contributing an observably additional current. It was for inducing electrons to electrically passivate the plasma-induced defects near the back channel. Thus, the trapping/detrapping of the electrons transporting in the front channel can be reduced. The trap density near the Fermi level, hopping distance and hopping energy are 1.1  ×  1018 cm-3 eV-1, 162 Å, and 52 meV for the BG TFT with plasma damage on the S/D regions.

A noise model for the evaluation of defect states in solar cells

PubMed Central

Landi, G.; Barone, C.; Mauro, C.; Neitzert, H. C.; Pagano, S.

2016-01-01

A theoretical model, combining trapping/detrapping and recombination mechanisms, is formulated to explain the origin of random current fluctuations in silicon-based solar cells. In this framework, the comparison between dark and photo-induced noise allows the determination of important electronic parameters of the defect states. A detailed analysis of the electric noise, at different temperatures and for different illumination levels, is reported for crystalline silicon-based solar cells, in the pristine form and after artificial degradation with high energy protons. The evolution of the dominating defect properties is studied through noise spectroscopy. PMID:27412097

Deep levels in as-grown and Si-implanted In(0.2)Ga(0.8)As-GaAs strained-layer superlattice optical guiding structures

NASA Technical Reports Server (NTRS)

Dhar, S.; Das, U.; Bhattacharya, P. K.

1986-01-01

Trap levels in about 2-micron In(0.2)Ga(0.8)As(94 A)/GaAs(25 A) strained-layer superlattices, suitable for optical waveguides, have been identified and characterized by deep-level transient spectroscopy and optical deep-level transient spectroscopy measurements. Several dominant electron and hole traps with concentrations of approximately 10 to the 14th/cu cm, and thermal ionization energies Delta-E(T) varying from 0.20 to 0.75 eV have been detected. Except for a 0.20-eV electron trap, which might be present in the In(0.2)Ga(0.8)As well regions, all the other traps have characteristics similar to those identified in molecular-beam epitaxial GaAs. Of these, a 0.42-eV hole trap is believed to originate from Cu impurities, and the others are probably related to native defects. Upon Si implantation and halogen lamp annealing, new deep centers are created. These are electron traps with Delta-E(T) = 0.81 eV and hole traps with Delta-E(T) = 0.46 eV. Traps occurring at room temperature may present limitations for optical devices.

Topological Transformation of Defects in Nematic Liquid Crystals

NASA Astrophysics Data System (ADS)

Pagel, Zachary; Atherton, Timothy; Guasto, Jeffrey; Cebe, Peggy

A topological transformation around silica microsphere inclusions in nematic liquid crystal cells (LCC) is experimentally studied. Silica microspheres are coated to induce homeotropic LC anchoring to the spheres. Parallel rub directions of the alignment polymer during LCC construction create a splay wall that traps the microspheres. Application of an out-of-plane electric field then permits a transformation of hedgehog defects, reversing the orientation of the defect around microspheres. The transformation controllably reverses the microsphere's direction of travel during AC electrophoresis due to defect-dependent velocity anisotropy. A similar transformation is studied on chains of microspheres with hedgehog defects, where the defect orientation is reversed on the entire chain. Polarized and confocal microscopies are used to study the defect structures. Results contribute to recent developments in microsphere electrokinetics in nematic LCs, as the transformation adds an additional degree of control in the electrophoretic motion of microspheres and chains of microspheres with dipolar defects. The author thanks NSF Grant DMR-1608126 for funding reseearch and Tufts University for funding travel.

Single Crystal Diamond Needle as Point Electron Source.

PubMed

Kleshch, Victor I; Purcell, Stephen T; Obraztsov, Alexander N

2016-10-12

Diamond has been considered to be one of the most attractive materials for cold-cathode applications during past two decades. However, its real application is hampered by the necessity to provide appropriate amount and transport of electrons to emitter surface which is usually achieved by using nanometer size or highly defective crystallites having much lower physical characteristics than the ideal diamond. Here, for the first time the use of single crystal diamond emitter with high aspect ratio as a point electron source is reported. Single crystal diamond needles were obtained by selective oxidation of polycrystalline diamond films produced by plasma enhanced chemical vapor deposition. Field emission currents and total electron energy distributions were measured for individual diamond needles as functions of extraction voltage and temperature. The needles demonstrate current saturation phenomenon and sensitivity of emission to temperature. The analysis of the voltage drops measured via electron energy analyzer shows that the conduction is provided by the surface of the diamond needles and is governed by Poole-Frenkel transport mechanism with characteristic trap energy of 0.2-0.3 eV. The temperature-sensitive FE characteristics of the diamond needles are of great interest for production of the point electron beam sources and sensors for vacuum electronics.

Single Crystal Diamond Needle as Point Electron Source

NASA Astrophysics Data System (ADS)

Kleshch, Victor I.; Purcell, Stephen T.; Obraztsov, Alexander N.

2016-10-01

Diamond has been considered to be one of the most attractive materials for cold-cathode applications during past two decades. However, its real application is hampered by the necessity to provide appropriate amount and transport of electrons to emitter surface which is usually achieved by using nanometer size or highly defective crystallites having much lower physical characteristics than the ideal diamond. Here, for the first time the use of single crystal diamond emitter with high aspect ratio as a point electron source is reported. Single crystal diamond needles were obtained by selective oxidation of polycrystalline diamond films produced by plasma enhanced chemical vapor deposition. Field emission currents and total electron energy distributions were measured for individual diamond needles as functions of extraction voltage and temperature. The needles demonstrate current saturation phenomenon and sensitivity of emission to temperature. The analysis of the voltage drops measured via electron energy analyzer shows that the conduction is provided by the surface of the diamond needles and is governed by Poole-Frenkel transport mechanism with characteristic trap energy of 0.2-0.3 eV. The temperature-sensitive FE characteristics of the diamond needles are of great interest for production of the point electron beam sources and sensors for vacuum electronics.

Non-fluorescent nanoscopic monitoring of a single trapped nanoparticle via nonlinear point sources.

PubMed

Yoon, Seung Ju; Lee, Jungmin; Han, Sangyoon; Kim, Chang-Kyu; Ahn, Chi Won; Kim, Myung-Ki; Lee, Yong-Hee

2018-06-07

Detection of single nanoparticles or molecules has often relied on fluorescent schemes. However, fluorescence detection approaches limit the range of investigable nanoparticles or molecules. Here, we propose and demonstrate a non-fluorescent nanoscopic trapping and monitoring platform that can trap a single sub-5-nm particle and monitor it with a pair of floating nonlinear point sources. The resonant photon funnelling into an extremely small volume of ~5 × 5 × 7 nm 3 through the three-dimensionally tapered 5-nm-gap plasmonic nanoantenna enables the trapping of a 4-nm CdSe/ZnS quantum dot with low intensity of a 1560-nm continuous-wave laser, and the pumping of 1560-nm femtosecond laser pulses creates strong background-free second-harmonic point illumination sources at the two vertices of the nanoantenna. Under the stable trapping conditions, intermittent but intense nonlinear optical spikes are observed on top of the second-harmonic signal plateau, which is identified as the 3.0-Hz Kramers hopping of the quantum dot trapped in the 5-nm gap.

One dimensional motion of interstitial clusters and void growth in Ni and Ni alloys

NASA Astrophysics Data System (ADS)

Yoshiie, T.; Ishizaki, T.; Xu, Q.; Satoh, Y.; Kiritani, M.

2002-12-01

One dimensional (1-D) motion of interstitial clusters is important for the microstructural evolution in metals. In this paper, the effect of 2 at.% alloying with elements Si (volume size factor to Ni: -5.81%), Cu (7.18%), Ge (14.76%) and Sn (74.08%) in Ni on 1-D motion of interstitial clusters and void growth was studied. In neutron irradiated pure Ni, Ni-Cu and Ni-Ge, well developed dislocation networks and voids in the matrix, and no defects near grain boundaries were observed at 573 K to a dose of 0.4 dpa by transmission electron microscopy. No voids were formed and only interstitial type dislocation loops were observed near grain boundaries in Ni-Si and Ni-Sn. The reaction kinetics analysis which included the point defect flow into planar sink revealed the existence of 1-D motion of interstitial clusters in Ni, Ni-Cu and Ni-Ge, and lack of such motion in Ni-Si and Ni-Sn. In Ni-Sn and Ni-Si, the alloying elements will trap interstitial clusters and thereby reduce the cluster mobility, which lead to the reduction in void growth.

Electrically active defects in p-type silicon after alpha-particle irradiation

NASA Astrophysics Data System (ADS)

Danga, Helga T.; Auret, F. Danie; Tunhuma, Shandirai M.; Omotoso, Ezekiel; Igumbor, Emmanuel; Meyer, Walter E.

2018-04-01

In this work, we investigated the defects introduced when boron (B) doped silicon (Si) was irradiated by making use of a 5.4 MeV americium (Am) 241 foil radioactive source with a fluence rate of 7×106 cm-2 s-1 at room temperature. Deep level transient spectroscopy (DLTS) and Laplace-DLTS measurements were used to investigate the electronic properties of the introduced defects. After exposure at a fluence of 5.1×1010 cm-2, the energy levels of the hole traps measured were: H(0.10), H(0.16), H(0.33) and H(0.52) The defect level H(0.10) was tri-vacancy related. H(0.33) was identified as the interstitial carbon (Ci) related defect which was a result of radiation induced damage. H(0.52) was a B-related defect. Explicit deductions about the origin of H(0.16) have not yet been achieved.

Gate oxide thickness dependence of the leakage current mechanism in Ru/Ta2O5/SiON/Si structures

NASA Astrophysics Data System (ADS)

Ťapajna, M.; Paskaleva, A.; Atanassova, E.; Dobročka, E.; Hušeková, K.; Fröhlich, K.

2010-07-01

Leakage conduction mechanisms in Ru/Ta2O5/SiON/Si structures with rf-sputtered Ta2O5 with thicknesses ranging from 13.5 to 1.8 nm were systematically studied. Notable reaction at the Ru/Ta2O5 interface was revealed by capacitance-voltage measurements. Temperature-dependent current-voltage characteristics suggest the bulk-limited conduction mechanism in all metal-oxide-semiconductor structures. Under gate injection, Poole-Frenkel emission was identified as a dominant mechanism for 13.5 nm thick Ta2O5. With an oxide thickness decreasing down to 3.5 nm, the conduction mechanism transforms to thermionic trap-assisted tunnelling through the triangular barrier. Under substrate injection, the dominant mechanism gradually changes with decreasing thickness from thermionic trap-assisted tunnelling to trap-assisted tunnelling through the triangular barrier; Poole-Frenkel emission was not observed at all. A 0.7 eV deep defect level distributed over Ta2O5 is assumed to be responsible for bulk-limited conduction mechanisms and is attributed to H-related defects or oxygen vacancies in Ta2O5.

Origin of temperature dependent conduction of current from n-4H-SiC into silicon dioxide films at high electric fields

NASA Astrophysics Data System (ADS)

Xiang, An; Xu, Xingliang; Zhang, Lin; Li, Zhiqiang; Li, Juntao; Dai, Gang

2018-02-01

The conduction of current from n-4H-SiC into pyrogenic and dry oxidized films is studied. Anomalous current conduction was observed at a high electric field above 8 MV/cm for dry oxidized metal-oxide-semiconductor (MOS) capacitors, which cannot be interpreted in the framework of pure Fowler-Nordheim tunneling. The temperature-dependent current measurement and density of interface trap estimated from the hi-lo method for the SiO2/4H-SiC interface revealed that the combined current conduction of Fowler-Nordheim and Poole-Frenkel emission is responsible for the current conduction in both pyrogenic and dry oxidized MOS capacitors. Furthermore, the origin of temperature dependent current conduction is the Poole-Frenkel emission via the carbon pair defect trap level at 1.3 eV below the conduction band edge of SiO2. In addition, with the dry oxidized capacitors, the enhanced temperature dependent current above 8 MV/cm is attributed to the PF emission via a trap level at 1.47 eV below the conduction band edge of SiO2, which corresponds to another configuration of a carbon pair defect in SiO2 films.

Crystal Engineering for Low Defect Density and High Efficiency Hybrid Chemical Vapor Deposition Grown Perovskite Solar Cells.

PubMed

Ng, Annie; Ren, Zhiwei; Shen, Qian; Cheung, Sin Hang; Gokkaya, Huseyin Cem; So, Shu Kong; Djurišić, Aleksandra B; Wan, Yangyang; Wu, Xiaojun; Surya, Charles

2016-12-07

Synthesis of high quality perovskite absorber is a key factor in determining the performance of the solar cells. We demonstrate that hybrid chemical vapor deposition (HCVD) growth technique can provide high level of versatility and repeatability to ensure the optimal conditions for the growth of the perovskite films as well as potential for batch processing. It is found that the growth ambient and degree of crystallization of CH 3 NH 3 PbI 3 (MAPI) have strong impact on the defect density of MAPI. We demonstrate that HCVD process with slow postdeposition cooling rate can significantly reduce the density of shallow and deep traps in the MAPI due to enhanced material crystallization, while a mixed O 2 /N 2 carrier gas is effective in passivating both shallow and deep traps. By careful control of the perovskite growth process, a champion device with power conversion efficiency of 17.6% is achieved. Our work complements the existing theoretical studies on different types of trap states in MAPI and fills the gap on the theoretical analysis of the interaction between deep levels and oxygen. The experimental results are consistent with the theoretical predictions.

Effective scheme to determine accurate defect formation energies and charge transition levels of point defects in semiconductors

NASA Astrophysics Data System (ADS)

Yao, Cang Lang; Li, Jian Chen; Gao, Wang; Tkatchenko, Alexandre; Jiang, Qing

2017-12-01

We propose an effective method to accurately determine the defect formation energy Ef and charge transition level ɛ of the point defects using exclusively cohesive energy Ecoh and the fundamental band gap Eg of pristine host materials. We find that Ef of the point defects can be effectively separated into geometric and electronic contributions with a functional form: Ef=χ Ecoh+λ Eg , where χ and λ are dictated by the geometric and electronic factors of the point defects (χ and λ are defect dependent). Such a linear combination of Ecoh and Eg reproduces Ef with an accuracy better than 5% for electronic structure methods ranging from hybrid density-functional theory (DFT) to many-body random-phase approximation (RPA) and experiments. Accordingly, ɛ is also determined by Ecoh/Eg and the defect geometric/electronic factors. The identified correlation is rather general for monovacancies and interstitials, which holds in a wide variety of semiconductors covering Si, Ge, phosphorenes, ZnO, GaAs, and InP, and enables one to obtain reliable values of Ef and ɛ of the point defects for RPA and experiments based on semilocal DFT calculations.

Total Dose Hardness Assurance. Volume I. Identification of Techniques.

DTIC Science & Technology

1980-02-01

nonuniformities suggests that this modelss is not valid or at least does not explain the majority of mid-gap states. 29 4. UNIFIED MODEL OF SVENSSON...studies by H. L. Hughes and King (ref. 37) indicate that the surface defects give rise to radiation induced lateral nonuniform - ities (LNU’s) in the trapped...observed charac- teristics used to measure N are actually due to N or a result of 56 lateral nonuniformities (LNU) of trapped charge in the oxide

Elastic dipoles of point defects from atomistic simulations

NASA Astrophysics Data System (ADS)

Varvenne, Céline; Clouet, Emmanuel

2017-12-01

The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

Realizing universal Majorana fermionic quantum computation

NASA Astrophysics Data System (ADS)

Wu, Ya-Jie; He, Jing; Kou, Su-Peng

2014-08-01

Majorana fermionic quantum computation (MFQC) was proposed by S. B. Bravyi and A. Yu. Kitaev [Ann. Phys. (NY) 298, 210 (2002), 10.1006/aphy.2002.6254], who indicated that a (nontopological) fault-tolerant quantum computer built from Majorana fermions may be more efficient than that built from distinguishable two-state systems. However, until now scientists have not known how to realize a MFQC in a physical system. In this paper we propose a possible realization of MFQC. We find that the end of a line defect of a p-wave superconductor or superfluid in a honeycomb lattice traps a Majorana zero mode, which becomes the starting point of MFQC. Then we show how to manipulate Majorana fermions to perform universal MFQC, which possesses possibilities for high-level local controllability through individually addressing the quantum states of individual constituent elements by using timely cold-atom technology.

Percolation Magnetism in Ferroelectric Nanoparticles

NASA Astrophysics Data System (ADS)

Golovina, Iryna S.; Lemishko, Serhii V.; Morozovska, Anna N.

2017-06-01

Nanoparticles of potassium tantalate (KTaO3) and potassium niobate (KNbO3) were synthesized by oxidation of metallic tantalum in molten potassium nitrate with the addition of potassium hydroxide. Magnetization curves obtained on these ferroelectric nanoparticles exhibit a weak ferromagnetism, while these compounds are nonmagnetic in a bulk. The experimental data are used as a start point for theoretical calculations. We consider a microscopic mechanism that leads to the emerging of a ferromagnetic ordering in ferroelectric nanoparticles. Our approach is based on the percolation of magnetic polarons assuming the dominant role of the oxygen vacancies. It describes the formation of surface magnetic polarons, in which an exchange interaction between electrons trapped in oxygen vacancies is mediated by magnetic impurity Fe3+ ions. The dependences of percolation radius on concentration of the oxygen vacancies and magnetic defects are determined in the framework of percolation theory.

Electronic and Chemical Properties of a Surface-Terminated Screw Dislocation in MgO

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

Mckenna, Keith P.

2013-12-18

Dislocations represent an important and ubiquitous class of topological defect found at the surfaces of metal oxide materials. They are thought to influence processes as diverse as crystal growth, corrosion, charge trapping, luminescence, molecular adsorption and catalytic activity, however, their electronic and chemical properties remain poorly understood. Here, through a detailed first principles investigation into the properties of a surface terminated screw dislocation in MgO we provide atomistic insight into these issues. We show that surface dislocations can exhibit intriguing electron trapping properties which are important for understanding the chemical and electronic characteristics of oxide surfaces. The results presented inmore » this article taken together with recent experimental reports show that surface dislocations can be equally as important as more commonly considered surface defects, such as steps, kinks and vacanies, but are now just beginning to be understood.« less

Comparison and Interpretation of Admittance Spectroscopy and Deep Level Transient Spectroscopy from Co-Evaporated and Solution-Deposited Cu2ZnSn(Sx, Se1-x)4 Solar Cells

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

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

2016-11-21

Cu2ZnSn(S, Se)4 (CZTSe) is an earth-abundant semiconductor with potential for economical thin-film photovoltaic devices. Short minority carrier lifetimes contribute to low open circuit voltage and efficiency. Deep level defects that may contribute to lower minority carrier lifetimes in kesterites have been theoretically predicted, however very little experimental characterization of these deep defects exists. In this work we use admittance spectroscopy (AS) and deep level transient spectroscopy (DLTS) to characterize devices built using CZTSSe absorber layers deposited via both coevaporation and solution processing. AS reveals a band of widely-distributed activation energies for traps or energy barriers for transport, especially in themore » solution deposited case. DLTS reveals signatures of deep majority and minority traps within both types of samples.« less

Electronic and Chemical Properties of a Surface-Terminated Screw Dislocation in MgO

PubMed Central

2013-01-01

Dislocations represent an important and ubiquitous class of topological defect found at the surfaces of metal oxide materials. They are thought to influence processes as diverse as crystal growth, corrosion, charge trapping, luminescence, molecular adsorption, and catalytic activity; however, their electronic and chemical properties remain poorly understood. Here, through a detailed first-principles investigation into the properties of a surface-terminated screw dislocation in MgO we provide atomistic insight into these issues. We show that surface dislocations can exhibit intriguing electron trapping properties which are important for understanding the chemical and electronic characteristics of oxide surfaces. The results presented in this article taken together with recent experimental reports show that surface dislocations can be equally as important as more commonly considered surface defects, such as steps, kinks, and vacancies, but are now just beginning to be understood. PMID:24279391

Reduction of hysteresis in solution-processed InGaZnO thin-film transistors through uni-directional pre-annealing

NASA Astrophysics Data System (ADS)

Kim, Young-Rae; Kwon, Jin-Hyuk; Vincent, Premkumar; Kim, Do-Kyung; Jeong, Hyeon-Seok; Hahn, Joonku; Bae, Jin-Hyuk; Park, Jaehoon

2018-01-01

The hysteresis of the solution-processed oxide thin-film transistors (TFTs) is fatal issue to interrupt stable operation. So, we came up with uni-directional pre-annealing to solve the problem. There are inevitable defects when solution-processed oxide TFTs are fabricated, due to the porosities by the solvent volatilization. Also oxygen vacancies needed for carrier generation in metal oxide semiconductor can be trap states inducing charge carrier trapping. Uni-directional pre-annealing improved the hysteresis, preventing randomly solvent evaporation and decreased the defects of the film. We can result in advanced stability of the solution-processed oxide TFTs, at the same time showing that the field effect mobility was enhanced from 3.35 cm2/Vs to 4.78 cm2/Vs simultaneously, and exhibiting better subthreshold swing from 0.89 V/dec to 0.23 V/dec.

Lifetime degradation of n-type Czochralski silicon after hydrogenation

NASA Astrophysics Data System (ADS)

Vaqueiro-Contreras, M.; Markevich, V. P.; Mullins, J.; Halsall, M. P.; Murin, L. I.; Falster, R.; Binns, J.; Coutinho, J.; Peaker, A. R.

2018-04-01

Hydrogen plays an important role in the passivation of interface states in silicon-based metal-oxide semiconductor technologies and passivation of surface and interface states in solar silicon. We have shown recently [Vaqueiro-Contreras et al., Phys. Status Solidi RRL 11, 1700133 (2017)] that hydrogenation of n-type silicon slices containing relatively large concentrations of carbon and oxygen impurity atoms {[Cs] ≥ 1 × 1016 cm-3 and [Oi] ≥ 1017 cm-3} can produce a family of C-O-H defects, which act as powerful recombination centres reducing the minority carrier lifetime. In this work, evidence of the silicon's lifetime deterioration after hydrogen injection from SiNx coating, which is widely used in solar cell manufacturing, has been obtained from microwave photoconductance decay measurements. We have characterised the hydrogenation induced deep level defects in n-type Czochralski-grown Si samples through a series of deep level transient spectroscopy (DLTS), minority carrier transient spectroscopy (MCTS), and high-resolution Laplace DLTS/MCTS measurements. It has been found that along with the hydrogen-related hole traps, H1 and H2, in the lower half of the gap reported by us previously, hydrogenation gives rise to two electron traps, E1 and E2, in the upper half of the gap. The activation energies for electron emission from the E1 and E2 trap levels have been determined as 0.12, and 0.14 eV, respectively. We argue that the E1/H1 and E2/H2 pairs of electron/hole traps are related to two energy levels of two complexes, each incorporating carbon, oxygen, and hydrogen atoms. Our results show that the detrimental effect of the C-O-H defects on the minority carrier lifetime in n-type Si:O + C materials can be very significant, and the carbon concentration in Czochralski-grown silicon is a key parameter in the formation of the recombination centers.

Photoionization of radiation-induced traps in quartz and alkali feldspars.

PubMed

Hütt, G; Jaek, I; Vasilchenko, V

2001-01-01

For the optimization of luminescence dating and dosimetry techniques on the basis of the optically stimulated luminescence, the stimulation spectra of quartz and alkali feldspars were measured in the spectral region of 250-1100 nm using optically stimulated afterglow. Optically stimulated luminescence in all studied spectral regions is induced by the same kind of deep traps, that produce thermoluminescence in the regions of palaeodosimetric peaks for both minerals. The mechanism for photoionization of deep traps was proposed as being due to delocalization of the excited state of the corresponding lattice defects. The excited state overlaps the zone states; i.e. is situated in the conduction band. Because of the high quantum yield of deep electron trap ionization in the UV spectral region, the present aim was to study the possibility of using UV-stimulation for palaeodose reconstruction.

Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective.

PubMed

Giansante, Carlo; Infante, Ivan

2017-10-19

Surface traps are ubiquitous to nanoscopic semiconductor materials. Understanding their atomistic origin and manipulating them chemically have capital importance to design defect-free colloidal quantum dots and make a leap forward in the development of efficient optoelectronic devices. Recent advances in computing power established computational chemistry as a powerful tool to describe accurately complex chemical species and nowadays it became conceivable to model colloidal quantum dots with realistic sizes and shapes. In this Perspective, we combine the knowledge gathered in recent experimental findings with the computation of quantum dot electronic structures. We analyze three different systems: namely, CdSe, PbS, and CsPbI 3 as benchmark semiconductor nanocrystals showing how different types of trap states can form at their surface. In addition, we suggest experimental healing of such traps according to their chemical origin and nanocrystal composition.

Synthesis of photochromic nanoparticles and determination of the mechanism of photochromism

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

Inoue, Shuhei, E-mail: shu18@hiroshima-u.ac.jp; Matsumura, Yukihiko; Kawamoto, Takahiro

2016-05-15

Photochromic nanoparticles of zinc-silicon oxide were synthesized using plasma enhanced chemical vapor deposition. These particles turned black upon irradiating with ultraviolet light. We investigated this phenomenon using density functional theory calculations. Silicon inclusions create trap levels and oxygen defects that reduce the ionization potential of ZnO. This forms a quantum potential between ZnO and zinc-silicon oxide, and the excited electron is stable. Because oxygen defects also increase the bond overlap population between the zinc atoms in a ZnO crystal, they introduce further defects and help in the formation of quantum potentials. Growth of a perfect crystal of ZnO prevents themore » formation of oxygen defects, which is not desirable for photochromism.« less

Point Defect Properties of Cd(Zn)Te and TlBr for Room-Temperature Gamma Radiation Detectors

NASA Astrophysics Data System (ADS)

Lordi, Vincenzo

2013-03-01

The effects of various crystal defects in CdTe, Cd1-xZnxTe (CZT), and TlBr are critical for their performance as room-temperature gamma radiation detectors. We use predictive first principles theoretical methods to provide fundamental, atomic scale understanding of the defect properties of these materials to enable design of optimal growth and processing conditions, such as doping, annealing, and stoichiometry. Several recent cases will be reviewed, including (i) accurate calculations of the thermodynamic and electronic properties of native point defects and point defect complexes in CdTe and CZT; (ii) the effects of Zn alloying on the native point defect properties of CZT; (iii) point defect diffusion and binding related to Te clustering in Cd(Zn)Te; (iv) the profound effect of native point defects--principally vacancies--on the intrinsic material properties of TlBr, particularly electronic and ionic conductivity; (v) tailored doping of TlBr to independently control the electronic and ionic conductivity; and (vi) the effects of metal impurities on the electronic properties and device performance of TlBr detectors. Prepared by LLNL under Contract DE-AC52-07NA27344 with support from the National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development NA-22.

Two-Dimensional Halide Perovskites: Tuning Electronic Activities of Defects

DOE PAGES

Liu, Yuanyue; Xiao, Hai; Goddard, William A.

2016-04-21

Two-dimensional (2D) halide perovskites are emerging as promising candidates for nanoelectronics and optoelectronics. To realize their full potential, it is important to understand the role of those defects that can strongly impact material properties. In contrast to other popular 2D semiconductors (e.g., transition metal dichalcogenides MX 2) for which defects typically induce harmful traps, we show that the electronic activities of defects in 2D perovskites are significantly tunable. For example, even with a fixed lattice orientation one can change the synthesis conditions to convert a line defect (edge or grain boundary) from electron acceptor to inactive site without deep gapmore » states. Here, we show that this difference originates from the enhanced ionic bonding in these perovskites compared with MX 2. The donors tend to have high formation energies and the harmful defects are difficult to form at a low halide chemical potential. Thus, we unveil unique properties of defects in 2D perovskites and suggest practical routes to improve them.« less

Role of pre-existing point defects on primary damage production and amorphization in silicon carbide (β-SiC)

NASA Astrophysics Data System (ADS)

Sahoo, Deepak Ranjan; Szlufarska, Izabela; Morgan, Dane; Swaminathan, Narasimhan

2018-01-01

Molecular dynamics simulations of displacement cascades were conducted to study the effect of point defects on the primary damage production in β-SiC. Although all types of point defects and Frenkel pairs were considered, Si interstitials and Si Frenkel pairs were unstable and hence excluded from the cascade studies. Si (C) vacancies had the maximum influence, enhancing C (Si) antisites and suppressing C interstitial production, when compared to the sample without any defects. The intracascade recombination mechanisms, in the presence of pre-existing defects, is explored by examining the evolution of point defects during the cascade. To ascertain the role of the unstable Si defects on amorphization, simulations involving explicit displacements of Si atoms were conducted. The dose to amorphization with only Si displacements was much lower than what was observed with only C displacements. The release of elastic energy accumulated due to Si defects, is found to be the amorphizing mechanism.

Charge carrier trapping and acoustic phonon modes in single CdTe nanowires.

PubMed

Lo, Shun Shang; Major, Todd A; Petchsang, Nattasamon; Huang, Libai; Kuno, Masaru K; Hartland, Gregory V

2012-06-26

Semiconductor nanostructures produced by wet chemical synthesis are extremely heterogeneous, which makes single particle techniques a useful way to interrogate their properties. In this paper the ultrafast dynamics of single CdTe nanowires are studied by transient absorption microscopy. The wires have lengths of several micrometers and lateral dimensions on the order of 30 nm. The transient absorption traces show very fast decays, which are assigned to charge carrier trapping into surface defects. The time constants vary for different wires due to differences in the energetics and/or density of surface trap sites. Measurements performed at the band edge compared to the near-IR give slightly different time constants, implying that the dynamics for electron and hole trapping are different. The rate of charge carrier trapping was observed to slow down at high carrier densities, which was attributed to trap-state filling. Modulations due to the fundamental and first overtone of the acoustic breathing mode were also observed in the transient absorption traces. The quality factors for these modes were similar to those measured for metal nanostructures, and indicate a complex interaction with the environment.

Effects of low temperature periodic annealing on the deep-level defects in 200 keV proton irradiated AlGaAs-GaAs solar cells

NASA Technical Reports Server (NTRS)

Li, S. S.; Chiu, T. T.; Loo, R. Y.

1981-01-01

The GaAs solar cell has shown good potential for space applications. However, degradation in performance occurred when the cells were irradiated by high energy electrons and protons in the space environment. The considered investigation is concerned with the effect of periodic thermal annealing on the deep-level defects induced by the 200 keV protons in the AlGaAs-GaAs solar cells. Protons at a fluence of 10 to the 11th P/sq cm were used in the irradiation cycle, while annealing temperatures of 200 C (for 24 hours), 300 C (six hours), and 400 C (six hours) were employed. The most likely candidate for the E(c) -0.71 eV electron trap observed in the 200 keV proton irradiated samples may be due to GaAs antisite, while the observed E(v) +0.18 eV hole trap has been attributed to the gallium vacancy related defect. The obtained results show that periodic annealing in the considered case does not offer any advantages over the one time annealing process.

A correlation between the defect states and yellow luminescence in AlGaN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Jana, Dipankar; Sharma, T. K.

2017-07-01

AlGaN/GaN heterostructures are investigated by performing complementary spectroscopic measurements under novel experimental configurations. Distinct features related to the band edge of AlGaN and GaN layers are clearly observed in surface photovoltage spectroscopy (SPS) spectra. A few more SPS features, which are associated with defects in GaN, are also identified by performing the pump-probe SPS measurements. SPS results are strongly corroborated by the complementary photoluminescence and photoluminescence excitation (PLE) measurements. A correlation between the defect assisted SPS features and yellow luminescence (YL) peak is established by performing pump-probe SPS and PLE measurements. It is found that CN-ON donor complex is responsible for the generation of YL peak in our sample. Further, the deep trap states are found to be present throughout the entire GaN epilayer. It is also noticed that the deep trap states lying at the GaN/Fe-GaN interface make a strong contribution to the YL feature. A phenomenological model is proposed to explain the intensity dependence of the YL feature and the corresponding SPS features in a pump-probe configuration, where a reasonable agreement between the numerical simulations and experimental results is achieved.

Towards understanding the mechanism of rhenium and osmium precipitation in tungsten and its implication for tungsten-based alloys

NASA Astrophysics Data System (ADS)

Li, Yu-Hao; Zhou, Hong-Bo; Deng, Huiqiu; Lu, Gang; Lu, Guang-Hong

2018-07-01

Using a first-principles method in combination with thermodynamic models, we investigate the interaction between rhenium/osmium (Re/Os) and defects to explore the mechanism of radiation-induced Re/Os precipitation in tungsten (W). We demonstrate that radiation-induced defects play a key role in the solute precipitation in W, especially for self-interstitial atoms (SIAs). The presence of SIAs can significantly reduce the total nucleation free energy change of Re/Os, and thus facilitate the nucleation of Re/Os in W. Further, SIA is shown to be easily trapped by Re/Os once overcoming a low energy barrier, forming a W-Re/Os mixed dumbbell. Such W-Re/Os dumbbell forms a high stable Re/Os-Re/Os dumbbell structure with the substitutional Re/Os atoms, which can serve as a trapping centre for subsequent interstitial-Re/Os, leading to the growth of Re/Os-rich clusters. Consequently, an interstitial-mediated migration and aggregation mechanism for Re/Os precipitation in W has been proposed. Our results reveale that the alloying elements-defects interaction has significantly effect on their behaviors under irradiation, which should be considered in the design of W-based alloys for future fusion devices.

Hydrogen Diffusion and Trapping in α -Iron: The Role of Quantum and Anharmonic Fluctuations

NASA Astrophysics Data System (ADS)

Cheng, Bingqing; Paxton, Anthony T.; Ceriotti, Michele

2018-06-01

We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic α -iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show that the diffusivity of hydrogen in the lattice of bcc iron deviates strongly from an Arrhenius behavior at and below room temperature. We compare a quantum transition state theory to explicit ring polymer molecular dynamics in the calculation of diffusivity. We then address the trapping of hydrogen by a vacancy as a prototype lattice defect. By a sequence of steps in a thought experiment, each involving a thermodynamic integration, we are able to separate out the binding free energy of a proton to a defect into harmonic and anharmonic, and classical and quantum contributions. We find that about 30% of a typical binding free energy of hydrogen to a lattice defect in iron is accounted for by finite temperature effects, and about half of these arise from quantum proton fluctuations. This has huge implications for the comparison between thermal desorption and permeation experiments and standard electronic structure theory. The implications are even greater for the interpretation of muon spin resonance experiments.

Defect annealing of alpha-particle irradiated n-GaAs

NASA Astrophysics Data System (ADS)

Goodman, S. A.; Auret, F. D.; Myburg, G.

1994-09-01

The annealing behaviour of irradiation induced defects in n-type GaAs irradiated at 300 K with 5.4 MeV alpha-particles from an americium-241 (Am-241) radio nuclide have been investigated. The annealing kinetics are presented for the alpha-particle induced defects Eα1 Eα5 detected in Organo-Metallic Vapor Phase Epitaxially (OMVPE) grown n-GaAs doped with silicon to 1.2×1016 cm-3, these kinetics are compared to those obtained for similar defects (E1 E5) detected after electron irradiation. While defects Pα1 and Pα2 were detected after removal of the electron defects Eα4 and Eα5, respectively, a new defect labelled Pα0, located 0.152 eV below the conduction band, was introduced by annealing. The thermal behaviour and trap characteristics of these three defects (Pα0 Pα2) are presented. In an attempt to further characterise defects Pα0 and Pα1 a preiliminary study investigating the emission rate field dependence of these defects was conducted, it was observed that defect Pα0 exhibited a fairly strong field dependence while Pα1 exhibited a much weaker dependence.

Identifying and counting point defects in carbon nanotubes.

PubMed

Fan, Yuwei; Goldsmith, Brett R; Collins, Philip G

2005-12-01

The prevailing conception of carbon nanotubes and particularly single-walled carbon nanotubes (SWNTs) continues to be one of perfectly crystalline wires. Here, we demonstrate a selective electrochemical method that labels point defects and makes them easily visible for quantitative analysis. High-quality SWNTs are confirmed to contain one defect per 4 microm on average, with a distribution weighted towards areas of SWNT curvature. Although this defect density compares favourably to high-quality, silicon single-crystals, the presence of a single defect can have tremendous electronic effects in one-dimensional conductors such as SWNTs. We demonstrate a one-to-one correspondence between chemically active point defects and sites of local electronic sensitivity in SWNT circuits, confirming the expectation that individual defects may be critical to understanding and controlling variability, noise and chemical sensitivity in SWNT electronic devices. By varying the SWNT synthesis technique, we further show that the defect spacing can be varied over orders of magnitude. The ability to detect and analyse point defects, especially at very low concentrations, indicates the promise of this technique for quantitative process analysis, especially in nanoelectronics development.

Electrical and Optical Studies of Deep Levels in Nominally Undoped Thallium Bromide

NASA Astrophysics Data System (ADS)

Smith, Holland M.; Haegel, Nancy M.; Phillips, David J.; Cirignano, Leonard; Ciampi, Guido; Kim, Hadong; Chrzan, Daryl C.; Haller, Eugene E.

2014-02-01

Photo-induced conductivity transient spectroscopy (PICTS) and cathodoluminescence (CL) measurements were performed on nominally undoped detector grade samples of TlBr. In PICTS measurements, nine traps were detected in the temperature range 80-250 K using four-gate analysis. Five of the traps are tentatively identified as electron traps, and four as hole traps. CL measurements yielded two broad peaks common to all samples and most likely associated with defects. Correlations between the optically and electrically detected deep levels are considered. Above 250 K, the photoconductivity transients measured in the PICTS experiments exhibited anomalous transient behavior, indicated by non-monotonic slope variations as a function of time. The origin of the transients is under further investigation, but their presence precludes the accurate determination of trap parameters in TlBr above 250 K with traditional PICTS analysis. Their discovery was made possible by the use of a PICTS system that records whole photoconductivity transients, as opposed to reduced and processed signals.

Superfluid transition of homogeneous and trapped two-dimensional Bose gases.

PubMed

Holzmann, Markus; Baym, Gordon; Blaizot, Jean-Paul; Laloë, Franck

2007-01-30

Current experiments on atomic gases in highly anisotropic traps present the opportunity to study in detail the low temperature phases of two-dimensional inhomogeneous systems. Although, in an ideal gas, the trapping potential favors Bose-Einstein condensation at finite temperature, interactions tend to destabilize the condensate, leading to a superfluid Kosterlitz-Thouless-Berezinskii phase with a finite superfluid mass density but no long-range order, as in homogeneous fluids. The transition in homogeneous systems is conveniently described in terms of dissociation of topological defects (vortex-antivortex pairs). However, trapped two-dimensional gases are more directly approached by generalizing the microscopic theory of the homogeneous gas. In this paper, we first derive, via a diagrammatic expansion, the scaling structure near the phase transition in a homogeneous system, and then study the effects of a trapping potential in the local density approximation. We find that a weakly interacting trapped gas undergoes a Kosterlitz-Thouless-Berezinskii transition from the normal state at a temperature slightly below the Bose-Einstein transition temperature of the ideal gas. The characteristic finite superfluid mass density of a homogeneous system just below the transition becomes strongly suppressed in a trapped gas.

The trap DOS in small molecule organic semiconductors: A quantitative comparison of thin-film transistors with single crystals

NASA Astrophysics Data System (ADS)

Kalb, Wolfgang; Haas, Simon; Pernstich, Kurt; Mathis, Thomas; Batlogg, Bertram

2010-03-01

Our study shows that it is possible to reach one of the ultimate goals of organic electronics: organic field-effect transistors can be produced with trap densities as low as in the bulk of single crystals. Several analytical methods to calculate the spectral density of localized states in the band gap (trap DOS) from measured data were used to clarify, if the different methods lead to similar results. We then compared quantitatively trap DOS information from the literature, correcting for differences due to different calculation methods. In the bulk of single crystals the trap DOS is lower by several orders of magnitude than in thin films. The compilation of all data strongly suggests that structural defects at grain boundaries are the main cause of ``fast'' traps in TFT's made with vacuum-evaporated pentacene. For high-performance transistors made with small molecule semiconductors such as rubrene it is essential to reduce the dipolar disorder caused by water adsorbed on the gate dielectric. We will discuss to what degree band broadening due to the thermal fluctuations of the intermolecular transfer integral is reflected in the trap DOS very close (<0.15 eV) to the mobility edge.

Mechanical properties of highly defective graphene: from brittle rupture to ductile fracture.

PubMed

Xu, Lanqing; Wei, Ning; Zheng, Yongping

2013-12-20

Defects are generally believed to deteriorate the superlative performance of graphene-based devices but may also be useful when carefully engineered to tailor the local properties and achieve new functionalities. Central to most defect-associated applications is the defect coverage and arrangement. In this work, we investigate, by molecular dynamics simulations, the mechanical properties and fracture dynamics of graphene sheets with randomly distributed vacancies or Stone-Wales defects under tensile deformations over a wide defect coverage range. With defects presented, an sp-sp(2) bonding network and an sp-sp(2)-sp(3) bonding network are observed in vacancy-defected and Stone-Wales-defected graphene, respectively. The ultimate strength degrades gradually with increasing defect coverage and saturates in the high-ratio regime, whereas the fracture strain presents an unusual descending-saturating-improving trend. In the dense vacancy defect situation, the fracture becomes more plastic and super-ductility is observed. Further fracture dynamics analysis reveals that the crack trapping by sp-sp(2) and sp-sp(2)-sp(3) rings and the crack-tip blunting account for the ductile fracture, whereas geometric rearrangement on the entire sheet for vacancy defects and geometric rearrangement on the specific defect sites for Stone-Wales defects account for their distinctive rules of the evolution of the fracture strain.

50 CFR 622.406 - Areas closed to lobster trap gear.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Trap Gear Closed Area 37. Point North lat. West long. A 25°07′51.156″ 80°17′27.910″ B 25°07′35.857″ 80... Trap Gear Closed Area 51. Point North lat. West long. A 25°16′33.006″ 80°13′30.001″ B 25°16′33.006″ 80... Closed Area 55. Point North lat. West long. A 25°21′45.004″ 80°09′51.998″ B 25°21′38.124″ 80°09′56.722″ C...

50 CFR 622.406 - Areas closed to lobster trap gear.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Trap Gear Closed Area 37. Point North lat. West long. A 25°07′51.156″ 80°17′27.910″ B 25°07′35.857″ 80... Trap Gear Closed Area 51. Point North lat. West long. A 25°16′33.006″ 80°13′30.001″ B 25°16′33.006″ 80... Closed Area 55. Point North lat. West long. A 25°21′45.004″ 80°09′51.998″ B 25°21′38.124″ 80°09′56.722″ C...

Grain Boundary Effect on Charge Transport in Pentacene Thin Films

NASA Astrophysics Data System (ADS)

Weis, Martin; Gmucová, Katarína; Nádaždy, Vojtech; Majková, Eva; Haško, Daniel; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-04-01

We report on charge transport properties of polycrystalline pentacene films with variable average grain size in the range from 0.1 to 0.3 µm controlled by the preparation technology. We illustrate with the organic field-effect transistors decrease of the effective mobility and presence of traps with decrease of the grain size. Analysis of the charge transfer excitons reveals decrease of the mobile charge density and the steady-state voltammetry showed significant increase of oxygen- and hydrogen-related defects. We also briefly discuss accumulation of the defects on the grain boundary and show relation between the defect density and grain boundary length.

Less severe processing improves carbon nanotube photovoltaic performance

NASA Astrophysics Data System (ADS)

Shea, Matthew J.; Wang, Jialiang; Flach, Jessica T.; Zanni, Martin T.; Arnold, Michael S.

2018-05-01

Thin film semiconducting single walled carbon nanotube (s-SWCNT) photovoltaics suffer losses due to trapping and quenching of excitons by defects induced when dispersing s-SWCNTs into solution. We study these aspects by preparing photovoltaic devices from (6,5) carbon nanotubes isolated by different processes: extended ultrasonication, brief ultrasonication, and shear force mixing. Peak quantum efficiency increases from 28% to 38% to 49% as the processing harshness decreases and is attributed to both increasing s-SWCNT length and reducing sidewall defects. Fill-factor and open-circuit voltage also improve with shear force mixing, highlighting the importance of obtaining long, defect-free s-SWCNTs for efficient photoconversion devices.

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

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

Elleuch, Omar, E-mail: mr.omar.elleuch@gmail.com; Wang, Li; Lee, Kan-Hua

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 measuredmore » 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.« less

New Insights into Intrinsic Point Defects in V2VI3 Thermoelectric Materials.

PubMed

Zhu, Tiejun; Hu, Lipeng; Zhao, Xinbing; He, Jian

2016-07-01

Defects and defect engineering are at the core of many regimes of material research, including the field of thermoelectric study. The 60-year history of V 2 VI 3 thermoelectric materials is a prime example of how a class of semiconductor material, considered mature several times, can be rejuvenated by better understanding and manipulation of defects. This review aims to provide a systematic account of the underexplored intrinsic point defects in V 2 VI 3 compounds, with regard to (i) their formation and control, and (ii) their interplay with other types of defects towards higher thermoelectric performance. We herein present a convincing case that intrinsic point defects can be actively controlled by extrinsic doping and also via compositional, mechanical, and thermal control at various stages of material synthesis. An up-to-date understanding of intrinsic point defects in V 2 VI 3 compounds is summarized in a (χ, r)-model and applied to elucidating the donor-like effect. These new insights not only enable more innovative defect engineering in other thermoelectric materials but also, in a broad context, contribute to rational defect design in advanced functional materials at large.

Trap pumping schemes for the Euclid CCD273 detector: characterisation of electrodes and defects

NASA Astrophysics Data System (ADS)

Skottfelt, J.; Hall, D. J.; Dryer, B.; Bush, N.; Campa, J.; Gow, J. P. D.; Holland, A. D.; Jordan, D.; Burt, D.

2017-12-01

The VISible imager instrument (VIS) on board the Euclid mission will deliver high resolution shape measurements of galaxies down to very faint limits (R ~ 25 at 10σ) in a large part of the sky, in order to infer the distribution of dark matter in the Universe. To help mitigate radiation damage effects that will accumulate in the detectors over the mission lifetime, the properties of the radiation induced traps needs to be known with as high precision as possible. For this purpose the trap pumping method will be employed as part of the in-orbit calibration routines. Using trap pumping it is possible to identify and characterise single traps in a Charge-Coupled Device (CCD), thus providing information such as the density, emission time constants and sub-pixel positions of the traps in the detectors. This paper presents the trap pumping algorithms used for the radiation testing campaign of the CCD273 detectors, performed by the Centre for Electronic Imaging (CEI) at the Open University, that will be used for the VIS instrument. The CCD273 is a four-phase device with uneven phase widths, which complicates the trap pumping analysis. However, we find that by optimising the trap pumping algorithms and analysis routines, it is possible to obtain sub-pixel and even sub-phase positional information about the traps. Further, by comparing trap pumping data with simulations, it is possible to gain more information about the effective electrode widths of the device.

Segregation and trapping of oxygen vacancies near the SrTiO 3Σ3 (112) [110] tilt grain boundary

DOE PAGES

Liu, Bin; Cooper, Valentino R.; Zhang, Yanwen; ...

2015-03-21

In nanocrystalline materials, structural discontinuities at grain boundaries (GBs) and the segregation of point defects to these GBs play a key role in defining the structural stability of a material, as well as its macroscopic electrical/mechanical properties. In this study, the segregation of oxygen vacancies near the Σ3 (1 1 2) [¯110] tilt GB in SrTiO 3 is explored using density functional theory. We find that oxygen vacancies segregate toward the GB, preferring to reside within the next nearest-neighbor layer. This oxygen vacancy segregation is found to be crucial for stabilizing this tilt GB. Furthermore, we find that the migrationmore » barriers of oxygen vacancies diffusing toward the first nearest-neighbor layer of the GB are low, while those away from this layer are very high. Furthermore, the segregation and trapping of the oxygen vacancies in the first nearest-neighbor layer of GBs are attributed to the large local distortions, which can now accommodate the preferred sixfold coordination of Ti. These results suggest that the electronic, transport, and capacitive properties of SrTiO 3 can be engineered through the control of GB structure and grain size or layer thickness.« less

Markers of Vascular Perturbation Correlate with Airway Structural Change in Asthma

PubMed Central

Kruger, Stanley J.; Schiebler, Mark L.; Evans, Michael D.; Sorkness, Ronald L.; Denlinger, Loren C.; Busse, William W.; Jarjour, Nizar N.; Montgomery, Robert R.; Mosher, Deane F.; Fain, Sean B.

2013-01-01

Rationale: Air trapping and ventilation defects on imaging are characteristics of asthma. Airway wall thickening occurs in asthma and is associated with increased bronchial vascularity and vascular permeability. Vascular endothelial cell products have not been explored as a surrogate to mark structural airway changes in asthma. Objectives: Determine whether reporters of vascular endothelial cell perturbation correlate with airway imaging metrics in patients with asthma of varying severity. Methods: Plasma from Severe Asthma Research Program subjects was analyzed by ELISAs for soluble von Willebrand factor mature protein (VWF:Ag) and propeptide (VWFpp), P-selectin, and platelet factor 4. Additional subjects were analyzed over 48 hours after whole-lung antigen challenge. We calculated ventilation defect volume by hyperpolarized helium-3 magnetic resonance imaging and areas of low signal density by multidetector computed tomography (less than −856 Hounsfield units [HU] at functional residual capacity and −950 HU at total lung capacity [TLC]). Measurements and Main Results: VWFpp and VWFpp/Ag ratio correlated with and predicted greater percentage defect volume on hyperpolarized helium-3 magnetic resonance imaging. P-selectin correlated with and predicted greater area of low density on chest multidetector computed tomography less than −950 HU at TLC. Platelet factor 4 did not correlate. Following whole-lung antigen challenge, variation in VWFpp, VWFpp/Ag, and P-selectin among time-points was less than that among subjects, indicating stability and repeatability of the measurements. Conclusions: Plasma VWFpp and P-selectin may be useful as surrogates of functional and structural defects that are evident on imaging. The results raise important questions about why VWFpp and P-selectin are associated specifically with different imaging abnormalities. PMID:23855693

Magnetic coherent population trapping in a single ion

NASA Astrophysics Data System (ADS)

Das, S.; Liu, P.; Grémaud, B.; Mukherjee, M.

2018-03-01

Magnetically induced coherent population trapping has been studied in a single trapped laser cooled ion. The magnetic-field-dependent narrow spectral feature is found to be a useful tool in determining the null point of magnetic field at the ion position. In particular, we use a double Λ scheme that allows us to measure the null magnetic-field point limited by the detector shot noise. We analyzed the system theoretically and found certain long-lived bright states as the dark state is generated under steady-state condition.

First-principles study of defects in TlBr

NASA Astrophysics Data System (ADS)

Du, Mao-Hua

2010-03-01

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

Donors, Acceptors, and Traps in AlGaN and AlGaN/GaN Epitaxial Layers

DTIC Science & Technology

2006-07-31

the background. 3.3 Positron annihilation spectroscopy (PAS): acceptor-type defects Positrons injected into defect-free GaN are annihilated by electrons...electron concentration n, and the average Ga-vacancy VGa concentration deduced from positron annihilation spectroscopy . 0.09 3.47 3.46 - 3.45 •ŗ.47225...of this paper, are often investigated by deep level transient spectroscopy (DLTS), and the usual analysis of DLTS data is based on the assumption that

Model for thickness dependence of radiation charging in MOS structures

NASA Technical Reports Server (NTRS)

Viswanathan, C. R.; Maserjian, J.

1976-01-01

The model considers charge buildup in MOS structures due to hole trapping in the oxide and the creation of sheet charge at the silicon interface. The contribution of hole trapping causes the flatband voltage to increase with thickness in a manner in which square and cube dependences are limiting cases. Experimental measurements on samples covering a 200 - 1000 A range of oxide thickness are consistent with the model, using independently obtained values of hole-trapping parameters. An important finding of our experimental results is that a negative interface charge contribution due to surface states created during irradiation compensates most of the positive charge in the oxide at flatband. The tendency of the surface states to 'track' the positive charge buildup in the oxide, for all thicknesses, applies both in creation during irradiation and in annihilation during annealing. An explanation is proposed based on the common defect origin of hole traps and potential surface states.

Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective

PubMed Central

2017-01-01

Surface traps are ubiquitous to nanoscopic semiconductor materials. Understanding their atomistic origin and manipulating them chemically have capital importance to design defect-free colloidal quantum dots and make a leap forward in the development of efficient optoelectronic devices. Recent advances in computing power established computational chemistry as a powerful tool to describe accurately complex chemical species and nowadays it became conceivable to model colloidal quantum dots with realistic sizes and shapes. In this Perspective, we combine the knowledge gathered in recent experimental findings with the computation of quantum dot electronic structures. We analyze three different systems: namely, CdSe, PbS, and CsPbI3 as benchmark semiconductor nanocrystals showing how different types of trap states can form at their surface. In addition, we suggest experimental healing of such traps according to their chemical origin and nanocrystal composition. PMID:28972763

Negative charge trapping effects in Al{sub 2}O{sub 3} films grown by atomic layer deposition onto thermally oxidized 4H-SiC

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

Schilirò, Emanuela, E-mail: emanuela.schiliro@imm.cnr.it; Dipartimento di Scienze Chimiche, Università degli Studi di Catania, and INSTM udr Catania, viale Andrea Doria 6, 95125, Catania; Lo Nigro, Raffaella

This letter reports on the negative charge trapping in Al{sub 2}O{sub 3} thin films grown by atomic layer deposition onto oxidized silicon carbide (4H-SiC). The films exhibited a permittivity of 8.4, a breakdown field of 9.2 MV/cm and small hysteresis under moderate bias cycles. However, severe electron trapping inside the Al{sub 2}O{sub 3} film (1 × 10{sup 12} cm{sup −2}) occurs upon high positive bias stress (>10 V). Capacitance-voltage measurements at different temperatures and stress conditions have been used to determine an activation energy of 0.1 eV. The results provide indications on the possible nature of the trapping defects and,more » hence, on the strategies to improve this technology for 4H-SiC devices.« less

Stable Defects in Semiconductor Nanowires.

PubMed

Sanchez, A M; Gott, J A; Fonseka, H A; Zhang, Y; Liu, H; Beanland, R

2018-05-09

Semiconductor nanowires are commonly described as being defect-free due to their ability to expel mobile defects with long-range strain fields. Here, we describe previously undiscovered topologically protected line defects with null Burgers vector that, unlike dislocations, are stable in nanoscale crystals. We analyze the defects present in semiconductor nanowires in regions of imperfect crystal growth, i.e., at the nanowire tip formed during consumption of the droplet in self-catalyzed vapor-liquid-solid growth and subsequent vapor-solid shell growth. We use a form of the Burgers circuit method that can be applied to multiply twinned material without difficulty. Our observations show that the nanowire microstructure is very different from bulk material, with line defects either (a) trapped by locks or other defects, (b) arranged as dipoles or groups with a zero total Burgers vector, or (c) have a zero Burgers vector. We find two new line defects with a null Burgers vector, formed from the combination of partial dislocations in twinned material. The most common defect is the three-monolayer high twin facet with a zero Burgers vector. Studies of individual nanowires using cathodoluminescence show that optical emission is quenched in defective regions, showing that they act as strong nonradiative recombination centers.

Congenital hypothyroidism: diagnostic scintigraphic evaluation of an organification defect

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

Cone, L.; Oates, E.; Vazquez, R.

1988-06-01

Quantitative Tc-99m pertechnetate thyroid imaging was performed on a hypothyroid neonate. The image revealed markedly increased trapping in an enlarged, bilobed, eutopic gland. A perchlorate washout test using quantitative imaging with I-123 confirmed an organification problem.

‘Parabolic’ trapped modes and steered Dirac cones in platonic crystals

PubMed Central

McPhedran, R. C.; Movchan, A. B.; Movchan, N. V.; Brun, M.; Smith, M. J. A.

2015-01-01

This paper discusses the properties of flexural waves governed by the biharmonic operator, and propagating in a thin plate pinned at doubly periodic sets of points. The emphases are on the design of dispersion surfaces having the Dirac cone topology, and on the related topic of trapped modes in plates for a finite set (cluster) of pinned points. The Dirac cone topologies we exhibit have at least two cones touching at a point in the reciprocal lattice, augmented by another band passing through the point. We show that these Dirac cones can be steered along symmetry lines in the Brillouin zone by varying the aspect ratio of rectangular lattices of pins, and that, as the cones are moved, the involved band surfaces tilt. We link Dirac points with a parabolic profile in their neighbourhood, and the characteristic of this parabolic profile decides the direction of propagation of the trapped mode in finite clusters. PMID:27547089

Effect of defect state on photon synergistic process in KLu2F7:Yb3+, Er3+ nanoparticles

NASA Astrophysics Data System (ADS)

Bian, Wenjuan; Lu, Wei; Qi, Yushuang; Yu, Xue; Zhou, Dacheng; Yang, Yong; Qiu, Jianbei; Xu, Xuhui

2016-10-01

The synergistic effect appeared due to the cooperative dual-wavelength excitation by near-infrared (NIR) and ultraviolet (UV) light in rare-earth doped nano-particles (NPs) is very important to improve solar cell efficiency. Herein, we studied the synergistic effect combined with the energy levels of Er3+ ions and the defect states in KLu2F7 NPs. The introduction of Ce3+ ions in KLu2F7:16%Yb3+, 2%Er3+ NPs results in significant improvement of synergistic effect by producing more vacancy defects (VK‧) which serves as shallow traps. We verify unambiguously that the control of the defects distribution exerts a facile approach to promote the synergistic effect with the assistance of Ce3+ ions doping.

Repairing Nanoparticle Surface Defects.

PubMed

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.

Novel Physical Model for DC Partial Discharge in Polymeric Insulators

NASA Astrophysics Data System (ADS)

Andersen, Allen; Dennison, J. R.

The physics of DC partial discharge (DCPD) continues to pose a challenge to researchers. We present a new physically-motivated model of DCPD in amorphous polymers based on our dual-defect model of dielectric breakdown. The dual-defect model is an extension of standard static mean field theories, such as the Crine model, that describe avalanche breakdown of charge carriers trapped on uniformly distributed defect sites. It assumes the presence of both high-energy chemical defects and low-energy thermally-recoverable physical defects. We present our measurements of breakdown and DCPD for several common polymeric materials in the context of this model. Improved understanding of DCPD and how it relates to eventual dielectric breakdown is critical to the fields of spacecraft charging, high voltage DC power distribution, high density capacitors, and microelectronics. This work was supported by a NASA Space Technology Research Fellowship.

Optical studies of native defects in π-conjugated donor-acceptor copolymers

NASA Astrophysics Data System (ADS)

Baniya, Sangita; Khanal, Dipak; Lafalce, Evan; You, Wei; Valy Vardeny, Z.

2018-04-01

We used multiple spectroscopies such as photoinduced absorption (PIA), magneto photoinduced absorption, and doping induced absorption for studying native defects in π-conjugated donor-acceptor copolymer chains of benzodithio-phene fluorinated benzotriazole. The PIA spectrum contains characteristic photoinduced absorption bands that are due to polarons and triplet exciton species, whose strengths have different dependencies on the modulation frequency, temperature, and laser excitation, as well as magnetic field response. We found that the native defects in the copolymer chains serve as efficient traps that ionize the photoexcited excitons, thereby generating charge carriers whose characteristic optical properties are similar, but not equal to those of intrachain polarons formed by doping. The native defects density is of the order of 1017 cm-3 indicating that most of the copolymer chains contain native defects upon synthesis; however, this does not preclude their used-for photovoltaic applications.

Trap level spectroscopic investigations of U: ZnAl2O4: Role of defect centres in the TSL process

NASA Astrophysics Data System (ADS)

Mohapatra, M.; Kumar, Mithlesh; Kadam, R. M.

2018-03-01

In order to evaluate the trap level spectroscopic properties of Uranium in ZnAl2O4 spinel host, undoped and Uranium doped ZnAl2O4 samples were synthesized. From photoluminescence (PL) data it was confirmed that uranium gets stabilized in the system as UO66- (octahedral uranate). Electron spin resonance (ESR) studies for the gamma irradiated sample suggested the formation of O2-, F+ and V centres. From the TSL (thermally stimulated luminescence) data, the trap parameters such as frequency factor and activation energy etc. were evaluated. From ESR-TSL correlation it was confirmed that the destruction of O2- ion coincides with TSL glow peak appeared at 332 K.

Effect of point defects and disorder on structural phase transitions

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

Toulouse, J.

1997-06-01

Since the beginning in 1986, the object of this project has been Structural Phase Transitions (SPT) in real as opposed to ideal materials. The first stage of the study has been centered around the role of Point Defects in SPT`s. Our intent was to use the previous knowledge we had acquired in the study of point defects in non-transforming insulators and apply it to the study of point defects in insulators undergoing phase transitions. In non-transforming insulators, point defects, in low concentrations, marginally affect the bulk properties of the host. It is nevertheless possible by resonance or relaxation methods tomore » study the point defects themselves via their local motion. In transforming solids, however, close to a phase transition, atomic motions become correlated over very large distances; there, even point defects far removed from one another can undergo correlated motions which may strongly affect the transition behavior of the host. Near a structural transition, the elastic properties win be most strongly affected so as to either raise or decrease the transition temperature, prevent the transition from taking place altogether, or simply modify its nature and the microstructure or domain structure of the resulting phase. One of the well known practical examples is calcium-stabilized zirconia in which the high temperature cubic phase is stabilized at room temperature with greatly improved mechanical properties.« less

Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S) 2 and Cu 2ZnSn(Se,S) 4 devices

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

Varley, J. B.; Lordi, V.

We investigate point defects in the buffer layers CdS and ZnS that may arise from intermixing with Cu(In,Ga)(S,Se) 2 (CIGS) or Cu 2ZnSn(S,Se) 4 (CZTS) absorber layers in thin-film photovoltaics. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be lessmore » effective dopants. Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. Cu, Na, and K impurities are found to all have the same qualitative behavior, most favorably acting as compensating acceptors when substituting on the cation site. Lastly, our results suggest one beneficial role of K and Na incorporation in CIGS or CZTS devices is the partial passivation of vacancy-related centers in CdS and ZnS buffers, rendering them less effective interfacial hole traps and recombination centers.« less

Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4} devices

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

Varley, J. B.; Lordi, V.

We investigate point defects in the buffer layers CdS and ZnS that may arise from intermixing with Cu(In,Ga)(S,Se){sub 2} (CIGS) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTS) absorber layers in thin-film photovoltaics. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be lessmore » effective dopants. Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. Cu, Na, and K impurities are found to all have the same qualitative behavior, most favorably acting as compensating acceptors when substituting on the cation site. Our results suggest one beneficial role of K and Na incorporation in CIGS or CZTS devices is the partial passivation of vacancy-related centers in CdS and ZnS buffers, rendering them less effective interfacial hole traps and recombination centers.« less

Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S) 2 and Cu 2ZnSn(Se,S) 4 devices

DOE PAGES

Varley, J. B.; Lordi, V.

2014-08-08

We investigate point defects in the buffer layers CdS and ZnS that may arise from intermixing with Cu(In,Ga)(S,Se) 2 (CIGS) or Cu 2ZnSn(S,Se) 4 (CZTS) absorber layers in thin-film photovoltaics. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be lessmore » effective dopants. Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. Cu, Na, and K impurities are found to all have the same qualitative behavior, most favorably acting as compensating acceptors when substituting on the cation site. Lastly, our results suggest one beneficial role of K and Na incorporation in CIGS or CZTS devices is the partial passivation of vacancy-related centers in CdS and ZnS buffers, rendering them less effective interfacial hole traps and recombination centers.« less

Energy Trapping, Release, and Transport in Three-Dimensional Energetic Solids and Molecular Crystals: Theory of Defects and Impurities.

DTIC Science & Technology

1984-12-31

and 3. T. Waber, Concerning the Trapping of Positrons in Ionic Solids, in Positron Annihilation , P. G. Coleman, S. C. Sharma and L. M. Diana, Eds., 682...1982). *144. A. B. Kunz and 3. T. Waber, A Theoretical Study of the Binding of Positrons to Gaseous Molecules, in Positron Annihilation . P. G. Coleman, S...variety of other cases which include systems in unusual charge states such as Fe + in SrTiOz or Fe in MgO . Impurity systems in their excited states are

AFRRI (Armed Forces Radiobiology Research Institute) Reports, July-September 1985.

DTIC Science & Technology

1985-01-01

1199 (1966). 17. K. M. M. SHAKIR. S. MARGOLIS. and S. B. BAY tIN. Localization of histaminase (diamine oxidase) in rat small intestinal mucosa: Site of...Broekkamp and K. G. t~lo~d. Involvement effects of localized lesions of n . Accumbens on morphine- -and of caudate nucleus. am igdala iir reticular...defect site, the trapping time is the sum of the time to get to a trap, l/M, plus the time, 1/c, needed for the ( local ) capture process to occur; M is the

Types of stratigraphic traps in Lower Cretaceous Muddy Formation, northern Powder River Basin, Wyoming

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

Lovekin, J.R.; Odland, S.K.; Quartarone, T.S. Gardner, M.H.

1986-08-01

Stratigraphic traps account for most of the oil produced from the Muddy Sandstone in the northern Powder River basin. Two categories of traps exist. The first trap type is the result of lateral and vertical facies changes. Reservoir facies include tidal channels, point bars, bayhead deltas, barrier islands, and strand-plain sandstones; trapping facies include bay-fill and estuarine sediments, mud-filled tidal channels, and flood-plain deposits. The second of the two categories of traps results from an unconformity that juxtaposes permeable and impermeable sediments of quite different ages. Structural and diagenetic factors often modify and locally enhance reservoir quality within both categoriesmore » of stratigraphic traps. The various types of traps are demonstrated by studies of six field areas: (1) barrier-island sandstones, sealed updip by back-barrier shales, produce at Ute and Kitty fields; (2) tidal channels produce at Collums and Kitty fields; (3) bayhead deltas, encased in estuarine sediments, form traps at Oedekoven and Kitty fields; (4) fluvial point-bar sandstones form traps at Oedekoven, Store, and Kitty fields; (5) unconformity-related traps exist where Muddy fluvial valley-fill sediments lap out against impermeable valley walls of Skull Creek Shale on the updip side at Store, Oedekoven, and Kitty fields; and (6) the clay-rich weathered zone, directly beneath an intraformational unconformity, forms the seal to the reservoirs at Amos Draw field.« less

a Positron 2D-ACAR Study of the Silicon-Dioxide Interface and the Point Defects in the Semi-Insulating Gallium Arsenide

NASA Astrophysics Data System (ADS)

Peng, Jianping

The SiO_2-Si system has been the subject of extensive study for several decades. Particular interest has been paid to the interface between Si single crystal and the amorphous SiO_2 which determines the properties and performances of devices. This is significant because of the importance of Si technology in the semiconductor industry. The development of the high-intensity slow positron beam at Brookhaven National Laboratory make it possible to study this system for the first time using the positron two-dimensional angular correlation of annihilation radiation (2D-ACAR) technique. 2D-ACAR is a well established and is a non-destructive microscopic probe for studying the electronic structure of materials, and for doing the depth-resolved measurements. Some unique information was obtained from the measurements performed on the SiO_2-Si system: Positronium (Ps) atoms formation and trapping in microvoids in both oxide and interface regions; and positron annihilation at vacancy-like defects in the interface region which can be attributed to the famous Pb centers. The discovery of the microvoids in the interface region may have some impact on the fabrication of the next generation electronic devices. Using the conventional 2D-ACAR setup with a ^{22}Na as positron source, we also studied the native arsenic (As) vacancy in the semi -insulating gallium-arsenide (SI-GaAs), coupled with in situ infrared light illumination. The defect spectrum was obtained by comparing the spectrum taken without photo -illumination to the spectrum taken with photo-illumination. The photo-illumination excited electrons from valence band to the defect level so that positrons can become localized in the defects. The two experiments may represent a new direction of the application of positron 2D-ACAR technique on the solid state physics and materials sciences.

Spatial identification of traps in AlGaN/GaN heterostructures by the combination of lateral and vertical electrical stress measurements

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

Hu, Anqi; Yang, Xuelin, E-mail: xlyang@pku.edu.cn; Cheng, Jianpeng

2016-01-25

We present a methodology and the corresponding experimental results to identify the exact location of the traps that induce hot electron trapping in AlGaN/GaN heterostructures grown on Si substrates. The methodology is based on a combination of lateral and vertical electrical stress measurements employing three ohmic terminals on the test sample structure with different GaN buffer designs. By monitoring the evolution of the lateral current during lateral as well as vertical stress application, we investigate the trapping/detrapping behaviors of the hot electrons and identify that the traps correlated with current degradation are in fact located in the GaN buffer layers.more » The trap activation energies (0.38–0.39 eV and 0.57–0.59 eV) extracted from either lateral or vertical stress measurements are in good agreement with each other, also confirming the identification. By further comparing the trapping behaviors in two samples with different growth conditions of an unintentionally doped GaN layer, we conclude that the traps are most likely in the unintentionally doped GaN layer but of different origins. It is suggested that the 0.38–0.39 eV trap is related to residual carbon incorporation while the 0.57–0.59 eV trap is correlated with native defects or complexes.« less

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

Liu, Yuanyue; Xiao, Hai; Goddard, William A.

Two-dimensional (2D) halide perovskites are emerging as promising candidates for nanoelectronics and optoelectronics. To realize their full potential, it is important to understand the role of those defects that can strongly impact material properties. In contrast to other popular 2D semiconductors (e.g., transition metal dichalcogenides MX 2) for which defects typically induce harmful traps, we show that the electronic activities of defects in 2D perovskites are significantly tunable. For example, even with a fixed lattice orientation one can change the synthesis conditions to convert a line defect (edge or grain boundary) from electron acceptor to inactive site without deep gapmore » states. Here, we show that this difference originates from the enhanced ionic bonding in these perovskites compared with MX 2. The donors tend to have high formation energies and the harmful defects are difficult to form at a low halide chemical potential. Thus, we unveil unique properties of defects in 2D perovskites and suggest practical routes to improve them.« less

Admittance spectroscopy or deep level transient spectroscopy: A contrasting juxtaposition

NASA Astrophysics Data System (ADS)

Bollmann, Joachim; Venter, Andre

2018-04-01

A comprehensive understanding of defects in semiconductors remains of primary importance. In this paper the effectiveness of two of the most commonly used semiconductor defect spectroscopy techniques, viz. deep level transient spectroscopy (DLTS) and admittance spectroscopy (AS) are reviewed. The analysis of defects present in commercially available SiC diodes shows that admittance spectroscopy allows the identification of deep traps with reduced measurement effort compared to deep Level Transient Spectroscopy (DLTS). Besides the N-donor, well-studied intrinsic defects were detected in these diodes. Determination of their activation energy and defect density, using the two techniques, confirm that the sensitivity of AS is comparable to that of DLTS while, due to its well defined peak shape, the spectroscopic resolution is superior. Additionally, admittance spectroscopy can analyze faster emission processes which make the study of shallow defects more practical and even that of shallow dopant levels, possible. A comparative summary for the relevant spectroscopic features of the two capacitance methods are presented.

First-principles investigations of proton generation in α-quartz

NASA Astrophysics Data System (ADS)

Yue, Yunliang; Song, Yu; Zuo, Xu

2018-03-01

Proton plays a key role in the interface-trap formation that is one of the primary reliability concerns, thus learning how it behaves is key to understand the radiation response of microelectronic devices. The first-principles calculations have been applied to explore the defects and their reactions associated with the proton release in α-quartz, the well-known crystalline isomer of amorphous silica. When a high concentration of molecular hydrogen (H2) is present, the proton generation can be enhanced by cracking the H2 molecules at the positively charged oxygen vacancies in dimer configuration. If the concentration of molecular hydrogen is low, the proton generation mainly depends on the proton dissociation of the doubly-hydrogenated defects. In particular, a fully passivated {E}2^{\\prime } center can dissociate to release a proton barrierlessly by structure relaxation once trapping a hole. This research provides a microscopic insight into the proton release in silicon dioxide, the critical step associated with the interface-trap formation under radiation in microelectronic devices. Project supported by the Science Challenge Project, China (Grant No. TZ2016003-1-105), CAEP Microsystem and THz Science and Technology Foundation, China (Grant No. CAEPMT201501), the National Natural Science Foundation China (Grant No. NSFC 11404300), and the National Basic Research Program of China (Grant No. 2011CB606405).

Identification of dopant-induced point defects and their effect on the performance of CZT detectors (Conference Presentation)

NASA Astrophysics Data System (ADS)

Gul, Rubi; Bolotnikov, Aleksey E.; Camarda, Giuseppe S.; Cui, Yonggang; Didic, Václav; Egarievwe, Stephen U.; Hossain, Anwar; Roy, Utpal N.; Yang, Ge; James, Ralph B.

2016-09-01

In our prior research we investigated room-temperature radiation detectors (CZT, CMT, CdMgTe, CTS, among other compound semiconductors) for point defects related to different dopants and impurities. In this talk we will report on our most recent research on newly grown CZT crystals doped with In, In+Al, In+Ni, and In+Sn. The main focus will be on the study of dopant-induced point defects using deep-level current transient spectroscopy (i-DLTS). In addition the performance, ? product, gamma-ray spectral response and internal electric field of the detectors were measured and correlated with the dopant-induced point defects and their concentrations. Characterization of the detectors was carried out using i-DLTS for the point defects, Pockels effect for the internal electric-field distribution, and γ-ray spectroscopy for the spectral properties.

thin film capacitors

NASA Astrophysics Data System (ADS)

Bodeux, Romain; Gervais, Monique; Wolfman, Jérôme; Gervais, François

2014-09-01

CaCu3Ti4O12 (CCTO) thin films were grown by pulsed laser deposition on Pt and La0.9Sr1.1NiO4 (LSNO) bottom electrodes. The electrical characteristics of the CCTO/Pt and CCTO/LSNO Schottky junctions have been analyzed by impedance spectroscopy, capacitance-voltage (C-V) and current-voltage (I-V) measurements as a function of frequency (40 Hz-1 MHz) and temperature (300-475 K). Similar results were obtained for the two Schottky diodes. The conduction mechanism through the Schottky junctions was described using a thermionic emission model and the electrical parameters were determined. The strong deviation from the ideal I-V characteristics and the increase in capacitance at low frequency for -0.5 V bias are in agreement with the presence of traps near the interfaces. Results point toward the important effect of defects generated at the interface by deposition of CCTO.

Melting of Boltzmann particles in different 2D trapping potential

NASA Astrophysics Data System (ADS)

Bhattacharya, Dyuti; Filinov, Alexei; Ghosal, Amit; Bonitz, Michael

2015-03-01

We analyze the quantum melting of two dimensional Wigner solid in several confined geometries and compare them with corresponding thermal melting in a purely classical system. Our results show that the geometry play little role in deciding the crossover quantum parameter nX, as the effects from boundary is well screened by the quantum zero point motion. The unique phase diagram in the plane of thermal and quantum fluctuations determined from independent melting criteria separates out the Wigner molecule ``phase'' from the classical and quantum ``liquids''. An intriguing signature of weakening liquidity with increasing temperature T have been found in the extreme quantum regime (n). This crossover is associated with production of defects, just like in case of thermal melting, though the role of them in determining the mechanism of the crossover appears different. Our study will help comprehending melting in a variety of experimental realization of confined system - from quantum dots to complex plasma.

Experimental observation of wave localization at the Dirac frequency in a two-dimensional photonic crystal microcavity.

PubMed

Hu, Lei; Xie, Kang; Hu, Zhijia; Mao, Qiuping; Xia, Jiangying; Jiang, Haiming; Zhang, Junxi; Wen, Jianxiang; Chen, Jingjing

2018-04-02

Trapping light within cavities or waveguides in photonic crystals is an effective technology in modern integrated optics. Traditionally, cavities rely on total internal reflection or a photonic bandgap to achieve field confinement. Recent investigations have examined new localized modes that occur at a Dirac frequency that is beyond any complete photonic bandgap. We design Al 2 O 3 dielectric cylinders placed on a triangular lattice in air, and change the central rod size to form a photonic crystal microcavity. It is predicted that waves can be localized at the Dirac frequency in this device without photonic bandgaps or total internal reflections. We perform a theoretical analysis of this new wave localization and verify it experimentally. This work paves the way for exploring localized defect modes at the Dirac point in the visible and infrared bands, with potential applicability to new optical devices.

Trap-assisted tunneling in Si-InAs nanowire heterojunction tunnel diodes.

PubMed

Bessire, Cedric D; Björk, Mikael T; Schmid, Heinz; Schenk, Andreas; Reuter, Kathleen B; Riel, Heike

2011-10-12

We report on the electrical characterization of one-sided p(+)-si/n-InAs nanowire heterojunction tunnel diodes to provide insight into the tunnel process occurring in this highly lattice mismatched material system. The lattice mismatch gives rise to dislocations at the interface as confirmed by electron microscopy. Despite this, a negative differential resistance with peak-to-valley current ratios of up to 2.4 at room temperature and with large current densities is observed, attesting to the very abrupt and high-quality interface. The presence of dislocations and other defects that increase the excess current is evident in the first and second derivative of the I-V characteristics as distinct peaks arising from trap-and phonon-assisted tunneling via the corresponding defect levels. We observe this assisted tunneling mainly in the forward direction and at low reverse bias but not at higher reverse biases because the band-to-band generation rates are peaked in the InAs, which is also confirmed by modeling. This indicates that most of the peaks are due to dislocations and defects in the immediate vicinity of the interface. Finally, we also demonstrate that these devices are very sensitive to electrical stress, in particular at room temperature, because of the extremely high electrical fields obtained at the abrupt junction even at low bias. The electrical stress induces additional defect levels in the band gap, which reduce the peak-to-valley current ratios.

Effect of BaSi2 template growth duration on the generation of defects and performance of p-BaSi2/n-Si heterojunction solar cells

NASA Astrophysics Data System (ADS)

Yachi, Suguru; Takabe, Ryota; Deng, Tianguo; Toko, Kaoru; Suemasu, Takashi

2018-04-01

We investigated the effect of BaSi2 template growth duration (t RDE = 0-20 min) on the defect generation and performance of p-BaSi2/n-Si heterojunction solar cells. The p-BaSi2 layer grown by molecular beam epitaxy (MBE) was 15 nm thick with a hole concentration of 2 × 1018 cm-3. The conversion efficiency η increased for films grown at long t RDE, owing to improvements of the open-circuit voltage (V OC) and fill factor (FF), reaching a maximum of η = 8.9% at t RDE = 7.5 min. However, η decreased at longer and shorter t RDE owing to lower V OC and FF. Using deep-level transient spectroscopy, we detected a hole trap level 190 meV above the valence band maximum for the sample grown without the template (t RDE = 0 min). An electron trap level 106 meV below the conduction band minimum was detected for a sample grown with t RDE = 20 min. The trap densities for both films were (1-2) × 1013 cm-3. The former originated from the diffusion of Ba into the n-Si region; the latter originated from defects in the template layer. The crystalline qualities of the template and MBE-grown layers were discussed. The root-mean-square surface roughness of the template reached a minimum of 0.51 nm at t RDE = 7.5 min. The a-axis orientation of p-BaSi2 thin films degraded as t RDE exceeded 10 min. In terms of p-BaSi2 crystalline quality and solar cell performance, the optimum t RDE was determined to be 7.5 min, corresponding to approximately 4 nm in thickness.

Impaired neutrophil extracellular trap formation: a novel defect in the innate immune system of aged individuals.

PubMed

Hazeldine, Jon; Harris, Phillipa; Chapple, Iain L; Grant, Melissa; Greenwood, Hannah; Livesey, Amy; Sapey, Elizabeth; Lord, Janet M

2014-08-01

Neutrophil extracellular traps (NETs) are a recently discovered addition to the defensive armamentarium of neutrophils, assisting in the immune response against rapidly dividing bacteria. Although older adults are more susceptible to such infections, no study has examined whether aging in humans influences NET formation. We report that TNF-α-primed neutrophils generate significantly more NETs than unprimed neutrophils and that lipopolysaccharide (LPS)- and interleukin-8 (IL-8)-induced NET formation exhibits a significant age-related decline. NET formation requires generation of reactive oxygen species (ROS), and this was also reduced in neutrophils from older donors identifying a mechanism for reduced NET formation. Expression of IL-8 receptors (CXCR1 and CXCR2) and the LPS receptor TLR4 was similar on neutrophils from young and old subjects, and neutrophils challenged with phorbol-12-myristate-13-acetate (PMA) showed no age-associated differences in ROS or NET production. Taken together, these data suggest a defect in proximal signalling underlies the age-related decline in NET and ROS generation. TNF-α priming involves signalling through p38 MAP kinase, but activation kinetics were comparable in neutrophils from young and old donors. In a clinical setting, we assessed the capacity of neutrophils from young and older patients with chronic periodontitis to generate NETs in response to PMA and hypochlorous acid (HOCL). Neutrophil extracellular trap generation to HOCL, but not PMA, was lower in older periodontitis patients but not in comparison with age-matched controls. Impaired NET formation is thus a novel defect of innate immunity in older adults but does not appear to contribute to the increased incidence of periodontitis in older adults. © 2014 The Authors. Aging Cell published by the Anatomical Society and John Wiley & Sons Ltd.

The effects of deep-level defects on the electrical properties of Cd0.9Zn0.1Te crystals

NASA Astrophysics Data System (ADS)

Wang, Pengfei; Nan, Ruihua; Jian, Zengyun

2017-06-01

The deep-level defects of CdZnTe (CZT) crystals grown by the modified vertical Bridgman (MVB) method act as trapping centers or recombination centers in the band gap, which have significant effects on its electrical properties. The resistivity and electron mobility-lifetime product of high resistivity Cd0.9Zn0.1Te wafer marked CZT1 and low resistivity Cd0.9Zn0.1Te wafer marked CZT2 were tested respectively. Their deep-level defects were identified by thermally stimulated current (TSC) spectroscopy and thermoelectric effect spectroscopy (TEES) respectively. Then the trap-related parameters were characterized by the simultaneous multiple peak analysis (SIMPA) method. The deep donor level ({E}{{DD}}) dominating dark current was calculated by the relationship between dark current and temperature. The Fermi-level was characterized by current-voltage measurements of temperature dependence. The width of the band gap was characterized by ultraviolet-visible-infrared transmittance spectroscopy. The results show the traps concentration and capture cross section of CZT1 are lower than CZT2, so its electron mobility-lifetime product is greater than CZT2. The Fermi-level of CZT1 is closer to the middle gap than CZT2. The degree of Fermi-level pinned by {E}{{DD}} of CZT1 is larger than CZT2. It can be concluded that the resistivity of CZT crystals increases as the degree of Fermi-level pinned near the middle gap by the deep donor level enlarges. Project supported by the National Natural Science Foundation of China (No. 51502234) and the Scientific Research Plan Projects of Shaanxi Provincial Department of Education of China (No. 15JS040).

New insight into the assessment of asthma using xenon ventilation computed tomography.

PubMed

Jung, Jae-Woo; Kwon, Jae-Woo; Kim, Tae-Wan; Lee, So-Hee; Kim, Kyung-Mook; Kang, Hye-Ryun; Park, Heung-Woo; Lee, Chang-Hyun; Goo, Jin-Mo; Min, Kyung-Up; Cho, Sang-Heon

2013-08-01

Image analyses include computed tomography (CT), magnetic resonance imaging, and xenon ventilation CT, which is new modality to evaluate pulmonary functional imaging. To examine the usefulness of dual-energy xenon ventilation CT in asthmatic patients. A total of 43 patients 18 years or older who were nonsmokers were included in the study. Xenon CT images in wash-in and wash-out phases were obtained at baseline and after inhalation of methacholine and salbutamol. The degrees of ventilation defects and xenon trappings were evaluated through visual analysis. Ventilation defects and xenon trapping were significantly increased and decreased after methacholine challenge and salbutamol inhalation, respectively (P < .005). The ventilation abnormalities were not significantly related to the percentage of forced expiratory volume in 1 second (FEV1) or the ratio of FEV1 to forced vital capacity. Xenon trappings after salbutamol inhalation were negatively related to the scores of the asthma control test, wheezing, or night symptoms, with statistical significance (P < .05), whereas, FEV1 showed no significant correlation with symptom scores. Baseline FEV1 was significantly lower and dyspnea and wheezing were more severe in the non-full reversal group than in the full reversal group after salbutamol inhalation in xenon CT (P < .05). The degree of ventilation defects were positively correlated with FEV1 improvement after 3 months of treatment (P = .02). The results of this study suggest that xenon ventilation CT can be used as a new method to assess ventilation abnormalities in asthma, and these ventilation abnormalities can be used as novel parameters that reflect the status of asthma control and symptom severity. Copyright © 2013 American College of Allergy, Asthma & Immunology. Published by Elsevier Inc. All rights reserved.

Impaired neutrophil extracellular trap formation: a novel defect in the innate immune system of aged individuals

PubMed Central

Hazeldine, Jon; Harris, Phillipa; Chapple, Iain L; Grant, Melissa; Greenwood, Hannah; Livesey, Amy; Sapey, Elizabeth; Lord, Janet M

2014-01-01

Neutrophil extracellular traps (NETs) are a recently discovered addition to the defensive armamentarium of neutrophils, assisting in the immune response against rapidly dividing bacteria. Although older adults are more susceptible to such infections, no study has examined whether aging in humans influences NET formation. We report that TNF-α-primed neutrophils generate significantly more NETs than unprimed neutrophils and that lipopolysaccharide (LPS)- and interleukin-8 (IL-8)-induced NET formation exhibits a significant age-related decline. NET formation requires generation of reactive oxygen species (ROS), and this was also reduced in neutrophils from older donors identifying a mechanism for reduced NET formation. Expression of IL-8 receptors (CXCR1 and CXCR2) and the LPS receptor TLR4 was similar on neutrophils from young and old subjects, and neutrophils challenged with phorbol-12-myristate-13-acetate (PMA) showed no age-associated differences in ROS or NET production. Taken together, these data suggest a defect in proximal signalling underlies the age-related decline in NET and ROS generation. TNF-α priming involves signalling through p38 MAP kinase, but activation kinetics were comparable in neutrophils from young and old donors. In a clinical setting, we assessed the capacity of neutrophils from young and older patients with chronic periodontitis to generate NETs in response to PMA and hypochlorous acid (HOCL). Neutrophil extracellular trap generation to HOCL, but not PMA, was lower in older periodontitis patients but not in comparison with age-matched controls. Impaired NET formation is thus a novel defect of innate immunity in older adults but does not appear to contribute to the increased incidence of periodontitis in older adults. PMID:24779584

The generation and accumulation of interstitial atoms and vacancies in alloys with L1{sub 2} superstructure

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

Pantyukhova, Olga, E-mail: Pantyukhova@list.ru; Starenchenko, Vladimir, E-mail: star@tsuab.ru; Starenchenko, Svetlana, E-mail: sve-starenchenko@yandex.ru

2016-01-15

The dependences of the point defect concentration (interstitial atoms and vacancies) on the deformation degree were calculated for the L1{sub 2} alloys with the high and low antiphase boundaries (APB) energy in terms of the mathematical model of the work and thermal strengthening of the alloys with the L1{sub 2} structure; the concentration of the point defects generated and annihilated in the process of deformation was estimated. It was found that the main part of the point defects generating during plastic deformation annihilates, the residual density of the deformation point defects does not exceed 10{sup −5}.

Native point defects in MoS2 and their influences on optical properties by first principles calculations

NASA Astrophysics Data System (ADS)

Saha, Ashim Kumar; Yoshiya, Masato

2018-03-01

Stability of native point defect species and optical properties are quantitatively examined through first principles calculations in order to identify possible native point defect species in MoS2 and its influences on electronic structures and resultant optical properties. Possible native point defect species are identified as functions of thermodynamic environment and location of Fermi-level in MoS2. It is found that sulphur vacancies can be introduced more easily than other point defect species which will create impurity levels both in bandgap and in valence band. Additionally, antisite Mo and/or Mo vacancies can be created depending on chemical potential of sulphur, both of which will create impurity levels in bandgap and in valence band. Those impurity levels result in pronounced photon absorption in visible light region, though each of these point defects alone has limited impact on the optical properties unless their concentration remained low. Thus, attention must be paid when intentional impurity doping is made to MoS2 to avoid unwanted modification of optical properties of MoS2. Those impurity may enable further exploitation of photovoltaic energy conversion at longer wavelength.

[The distribution of the tsetse fly (Diptera: Glossinidae) in the humid savanna zone (Central African Republic). Evaluation of prospective entomological techniques].

PubMed

Blanc, F; Gouteux, J P; Cuisance, D; Pounekrozou, E; N'Dokoué, F; Le Gall, F

1991-06-01

Two trapping methods were compared during a survey of the distribution of tsetse flies in the Mbororo cattle breeding area of the Central African Republic: (a) several traps dispersed throughout the riverine forest galleries and remaining only one day at each site: (b) one sentinel trap placed at the cattle drinking point and remaining for several days. The latter method was more reliable and is therefore recommended. The concentration of tsetse flies at the drinking points was negligible during the rainy season.

Effect of alpha-particle irradiation on the electrical properties of n-type Ge

NASA Astrophysics Data System (ADS)

Roro, K. T.; Janse van Rensburg, P. J.; Auret, F. D.; Coelho, S.

2009-12-01

Deep-level transient spectroscopy was used to investigate the effect of alpha particle irradiation on the electrical properties of n-type Ge. The samples were irradiated with alpha particles at room temperature using an americium-241 (Am-241) radionuclide source. The main defects introduced were found to be electron traps with energy levels at EC-0.38, EC-0.21, EC-0.20, EC-0.15, and EC-0.10 eV, respectively. The main defects in alpha particle irradiation are similar to those introduced by MeV electron irradiation, where the main defect is the E-center. A quadratic increase in concentration as a function of dose is observed.

Surface-electrode point Paul trap

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

Kim, Tony Hyun; Herskind, Peter F.; Chuang, Isaac L.

2010-10-15

We present a model as well as experimental results for a surface electrode radiofrequency Paul trap that has a circular electrode geometry well suited for trapping single ions and two-dimensional planar ion crystals. The trap design is compatible with microfabrication and offers a simple method by which the height of the trapped ions above the surface may be changed in situ. We demonstrate trapping of single {sup 88}Sr{sup +} ions over an ion height range of 200-1000 {mu}m for several hours under Doppler laser cooling and use these to characterize the trap, finding good agreement with our model.

Single Crystal Diamond Needle as Point Electron Source

PubMed Central

Kleshch, Victor I.; Purcell, Stephen T.; Obraztsov, Alexander N.

2016-01-01

Diamond has been considered to be one of the most attractive materials for cold-cathode applications during past two decades. However, its real application is hampered by the necessity to provide appropriate amount and transport of electrons to emitter surface which is usually achieved by using nanometer size or highly defective crystallites having much lower physical characteristics than the ideal diamond. Here, for the first time the use of single crystal diamond emitter with high aspect ratio as a point electron source is reported. Single crystal diamond needles were obtained by selective oxidation of polycrystalline diamond films produced by plasma enhanced chemical vapor deposition. Field emission currents and total electron energy distributions were measured for individual diamond needles as functions of extraction voltage and temperature. The needles demonstrate current saturation phenomenon and sensitivity of emission to temperature. The analysis of the voltage drops measured via electron energy analyzer shows that the conduction is provided by the surface of the diamond needles and is governed by Poole-Frenkel transport mechanism with characteristic trap energy of 0.2–0.3 eV. The temperature-sensitive FE characteristics of the diamond needles are of great interest for production of the point electron beam sources and sensors for vacuum electronics. PMID:27731379

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

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

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

2016-11-21

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

Characterization of charge trapping phenomena at III-N/dielectric interfaces

NASA Astrophysics Data System (ADS)

Stradiotto, Roberta; Pobegen, Gregor; Ostermaier, Clemens; Grasser, Tibor

2016-11-01

Charge trapping related phenomena are among the most serious reliability issues in GaN/AlGaN MIS-HEMTs technology. Today, many research efforts are undertaken to investigate and identify the defects responsible for device degradation. This work focuses on the trap sites located close to the interface with the dielectric, which are responsible for large voltage drifts in on-state conditions. We study the response of GaN/AlGaN/SiN systems to small and large signal excitation. Measurements performed with a lock-in amplifier enable us to deeply understand the dynamic behavior because of the improved time resolution and the versatility of the instrument. We investigate the frequency dispersion and the hysteresis of these devices and conclude that direct analysis of impedance characteristics is not sufficient to extract information about the interface trap response. We propose a methodology to study trapping phenomena based on transient measurement analysis, describing the approximations made and their effect on the accuracy of the result. Results on MIS test structures confirm the existence of a broad distribution of trap states. Capture time constants are found to be uniformly distributed in the experimental time window between 50 μs and 100 s.

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

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

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

2011-01-01

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

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

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

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

2011-07-01

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

Colour-causing defects and their related optoelectronic transitions in single crystal CVD diamond.

PubMed

Khan, R U A; Cann, B L; Martineau, P M; Samartseva, J; Freeth, J J P; Sibley, S J; Hartland, C B; Newton, M E; Dhillon, H K; Twitchen, D J

2013-07-10

Defects causing colour in nitrogen-doped chemical vapour-deposited (CVD) diamond can adversely affect the exceptional optical, electronic and spintronic properties of the material. Several techniques were used to study these defects, namely optical absorption spectroscopy, thermoluminescence (TL) and electron paramagnetic resonance (EPR). From our studies, the defects causing colour in nitrogen-doped CVD diamond are clearly not the same as those causing similar colour in natural diamonds. The brown colour arises due to a featureless absorption profile that decreases in intensity with increasing wavelength, and a broad feature at 360 nm (3.49 eV) that scales in intensity with it. Another prominent absorption band, centred at 520 nm (2.39 eV), is ascribed to the neutral nitrogen-vacancy-hydrogen defect. The defects responsible for the brown colour possess acceptor states that are 1.5 eV from the valence band (VB) edge. The brown colour is removed by heat treatment at 1600 ° C, whereupon new defects possessing shallow (<1 eV) trap states are generated.

Light-induced defects in hybrid lead halide perovskite

NASA Astrophysics Data System (ADS)

Sharia, Onise; Schneider, William

One of the main challenges facing organohalide perovskites for solar application is stability. Solar cells must last decades to be economically viable alternatives to traditional energy sources. While some causes of instability can be avoided through engineering, light-induced defects can be fundamentally limiting factor for practical application of the material. Light creates large numbers of electron and hole pairs that can contribute to degradation processes. Using ab initio theoretical methods, we systematically explore first steps of light induced defect formation in methyl ammonium lead iodide, MAPbI3. In particular, we study charged and neutral Frenkel pair formation involving Pb and I atoms. We find that most of the defects, except negatively charged Pb Frenkel pairs, are reversible, and thus most do not lead to degradation. Negative Pb defects create a mid-gap state and localize the conduction band electron. A minimum energy path study shows that, once the first defect is created, Pb atoms migrate relatively fast. The defects have two detrimental effects on the material. First, they create charge traps below the conduction band. Second, they can lead to degradation of the material by forming Pb clusters.

Optical spectroscopy and microscopy of radiation-induced light-emitting point defects in lithium fluoride crystals and films

NASA Astrophysics Data System (ADS)

Montereali, R. M.; Bonfigli, F.; Menchini, F.; Vincenti, M. A.

2012-08-01

Broad-band light-emitting radiation-induced F2 and F3+ electronic point defects, which are stable and laser-active at room temperature in lithium fluoride crystals and films, are used in dosimeters, tuneable color-center lasers, broad-band miniaturized light sources and novel radiation imaging detectors. A brief review of their photoemission properties is presented, and their behavior at liquid nitrogen temperatures is discussed. Some experimental data from optical spectroscopy and fluorescence microscopy of these radiation-induced point defects in LiF crystals and thin films are used to obtain information about the coloration curves, the efficiency of point defect formation, the effects of photo-bleaching processes, etc. Control of the local formation, stabilization, and transformation of radiation-induced light-emitting defect centers is crucial for the development of optically active micro-components and nanostructures. Some of the advantages of low temperature measurements for novel confocal laser scanning fluorescence microscopy techniques, widely used for spatial mapping of these point defects through the optical reading of their visible photoluminescence, are highlighted.

On the validity of the amphoteric-defect model in gallium arsenide and a criterion for Fermi-level pinning by defects

NASA Astrophysics Data System (ADS)

Chen, C.-H.; Tan, T. Y.

1995-10-01

Using the theoretically calculated point-defect total-energy values of Baraff and Schlüter in GaAs, an amphoteric-defect model has been proposed by Walukiewicz to explain a large number of experimental results. The suggested amphoteric-defect system consists of two point-defect species capable of transforming into each other: the doubly negatively charged Ga vacancy V {Ga/2-} and the triply positively charged defect complex (ASGa+ V As)3+, with AsGa being the antisite defect of an As atom occupying a Ga site and V As being an As vacancy. When present in sufficiently high concentrations, the amphoteric defect system V {Ga/2-}/(AsGa+ V As)3+ is supposed to be able to pin the GaAs Fermi level at approximately the E v +0.6 eV level position, which requires that the net free energy of the V Ga/(AsGa+ V As) defect system to be minimum at the same Fermi-level position. We have carried out a quantitative study of the net energy of this defect system in accordance with the individual point-defect total-energy results of Baraff and Schlüter, and found that the minimum net defect-system-energy position is located at about the E v +1.2 eV level position instead of the needed E v +0.6 eV position. Therefore, the validity of the amphoteric-defect model is in doubt. We have proposed a simple criterion for determining the Fermi-level pinning position in the deeper part of the GaAs band gap due to two oppositely charged point-defect species, which should be useful in the future.

Ionising radiation effect on the luminescence emission of inorganic and biogenic calcium carbonates

NASA Astrophysics Data System (ADS)

Boronat, C.; Correcher, V.; Virgos, M. D.; Garcia-Guinea, J.

2017-06-01

As known, the luminescence emission of mineral phases could be potentially employed for dosimetric purposes in the case of radiological terrorism or radiation accident where conventional monitoring is not available. In this sense, this paper reports on the thermo- (TL) and cathodoluminescence (CL) emission of both biogenic (common periwinkle - littorina littorera - shell made of calcite 90% and aragonite 10%) and inorganic (aragonite 100%) Ca-rich carbonates previously characterized by X-ray diffraction and Raman spectroscopy. Whereas the aragonite sample displays the main CL waveband peaked in the red region (linked to point defects), the more intense emission obtained from the common periwinkle shell appears at higher energies (mainly associated with structural defects). The UV-blue TL emission of the samples, regardless of the origin, displays (i) an acceptable ionizing radiation sensitivity, (ii) linear dose response in the range of interest (up to 8 Gy), (iii) reasonable stability of the TL signal after 700 h of storage with an initial decay of ca. 88% for the mineral sample and 60% for the biogenic sample and maintaining the stability from 150 h onwards. (iv) The tests of thermal stability of the TL emission performed in the range of 180-320 °C confirm a continuum in the trap system.

A kinetic model for stress generation in thin films grown from energetic vapor fluxes

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

Chason, E.; Karlson, M.; Colin, J. J.

We have developed a kinetic model for residual stress generation in thin films grown from energetic vapor fluxes, encountered, e.g., during sputter deposition. The new analytical model considers sub-surface point defects created by atomic peening, along with processes treated in already existing stress models for non-energetic deposition, i.e., thermally activated diffusion processes at the surface and the grain boundary. According to the new model, ballistically induced sub-surface defects can get incorporated as excess atoms at the grain boundary, remain trapped in the bulk, or annihilate at the free surface, resulting in a complex dependence of the steady-state stress on themore » grain size, the growth rate, as well as the energetics of the incoming particle flux. We compare calculations from the model with in situ stress measurements performed on a series of Mo films sputter-deposited at different conditions and having different grain sizes. The model is able to reproduce the observed increase of compressive stress with increasing growth rate, behavior that is the opposite of what is typically seen under non-energetic growth conditions. On a grander scale, this study is a step towards obtaining a comprehensive understanding of stress generation and evolution in vapor deposited polycrystalline thin films.« less

Magnetically addressable fluorescent Fe3O4/ZnO nanocomposites: Structural, optical and magnetization studies

NASA Astrophysics Data System (ADS)

Roychowdhury, A.; Pati, S. P.; Mishra, A. K.; Kumar, S.; Das, D.

2013-06-01

Fe3O4/ZnO nanocomposites (NCs) are prepared by a wet chemical route. X-ray diffraction, transmission electron microscopy and Fourier transform infrared spectroscopy studies confirm the coexistence of Fe3O4 and ZnO phases in the NCs. The UV-vis absorption spectra show a red shift of the absorption peak with increase in Fe3O4 content indicating a modification of the band structure of ZnO in the NCs. Photoluminescence emission spectra of the NCs display strong excitonic emission in the UV region along with weak emission bands in the visible range caused by electronic transitions involving defect-related energy levels in the band gap of ZnO. Positron annihilation lifetimes indicate that cation vacancies in the ZnO structure are the strong traps for positrons and the overall defect concentration in the NCs decreases with increase in Fe3O4 content. Dc magnetization measurements reveal an anomalous temperature dependence of the coercivity of the NCs that is argued to be due to the anomalous variation of magnetocrystalline anisotropy at lower temperature. The irreversibility observed in the temperature dependent ZFC-FC magnetization points to the presence of a spin-glass phase in the NCs.

A 3D Laser Profiling System for Rail Surface Defect Detection

PubMed Central

Li, Qingquan; Mao, Qingzhou; Zou, Qin

2017-01-01

Rail surface defects such as the abrasion, scratch and peeling often cause damages to the train wheels and rail bearings. An efficient and accurate detection of rail defects is of vital importance for the safety of railway transportation. In the past few decades, automatic rail defect detection has been studied; however, most developed methods use optic-imaging techniques to collect the rail surface data and are still suffering from a high false recognition rate. In this paper, a novel 3D laser profiling system (3D-LPS) is proposed, which integrates a laser scanner, odometer, inertial measurement unit (IMU) and global position system (GPS) to capture the rail surface profile data. For automatic defect detection, first, the deviation between the measured profile and a standard rail model profile is computed for each laser-imaging profile, and the points with large deviations are marked as candidate defect points. Specifically, an adaptive iterative closest point (AICP) algorithm is proposed to register the point sets of the measured profile with the standard rail model profile, and the registration precision is improved to the sub-millimeter level. Second, all of the measured profiles are combined together to form the rail surface through a high-precision positioning process with the IMU, odometer and GPS data. Third, the candidate defect points are merged into candidate defect regions using the K-means clustering. At last, the candidate defect regions are classified by a decision tree classifier. Experimental results demonstrate the effectiveness of the proposed laser-profiling system in rail surface defect detection and classification. PMID:28777323

Engineering Ceramic Nanophosphors for Optical Applications

DTIC Science & Technology

2009-06-11

spacing) AMPR : multiphonon relaxation losses (surface defects, traps) AOH : losses from –OH quenching OHMPRETradnon rad lum radnonirad irad AAAA AA A...methacrylate ( PMMA ) and Polystyrene (PS) • Obtained transparent composites of rare-earth doped CeF3 nanoparticles with high solid loading MC Tan, SD Patil

Measurements of defect structures by positron annihilation lifetime spectroscopy of the tellurite glass TeO2-P2O5-ZnO-LiNbO3 doped with ions of rare earth elements: Er3+, Nd3+ and Gd3+

NASA Astrophysics Data System (ADS)

Golis, E.; Yousef, El. S.; Reben, M.; Kotynia, K.; Filipecki, J.

2015-12-01

The objective of the study was the structural analysis of the TeO2-P2O5-ZnO-LiNbO3 tellurite glasses doped with ions of the rare-earth elements: Er3+, Nd3+ and Gd3+ based on the PALS (Positron Annihilation Lifetime Spectroscopy) method of measuring positron lifetimes. Values of positron lifetimes and the corresponding intensities may be connected with the sizes and number of structural defects, such as vacancies, mono-vacancies, dislocations or pores, the sizes of which range from a few angstroms to a few dozen nanometres. Experimental positron lifetime spectrum revealed existence of two positron lifetime components τ1 and τ2. Their interpretation was based on two-state positron trapping model where the physical parameters are the annihilation velocity and positron trapping rate.

Interface traps and quantum size effects on the retention time in nanoscale memory devices

PubMed Central

2013-01-01

Based on the analysis of Poisson equation, an analytical surface potential model including interface charge density for nanocrystalline (NC) germanium (Ge) memory devices with p-type silicon substrate has been proposed. Thus, the effects of Pb defects at Si(110)/SiO2, Si(111)/SiO2, and Si(100)/SiO2 interfaces on the retention time have been calculated after quantum size effects have been considered. The results show that the interface trap density has a large effect on the electric field across the tunneling oxide layer and leakage current. This letter demonstrates that the retention time firstly increases with the decrease in diameter of NC Ge and then rapidly decreases with the diameter when it is a few nanometers. This implies that the interface defects, its energy distribution, and the NC size should be seriously considered in the aim to improve the retention time from different technological processes. The experimental data reported in the literature support the theoretical expectation. PMID:23984827

III/V nano ridge structures for optical applications on patterned 300 mm silicon substrate

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

Kunert, B.; Guo, W.; Mols, Y.

We report on an integration approach of III/V nano ridges on patterned silicon (Si) wafers by metal organic vapor phase epitaxy (MOVPE). Trenches of different widths (≤500 nm) were processed in a silicon oxide (SiO{sub 2}) layer on top of a 300 mm (001) Si substrate. The MOVPE growth conditions were chosen in a way to guarantee an efficient defect trapping within narrow trenches and to form a box shaped ridge with increased III/V volume when growing out of the trench. Compressively strained InGaAs/GaAs multi-quantum wells with 19% indium were deposited on top of the fully relaxed GaAs ridges as an activemore » material for optical applications. Transmission electron microcopy investigation shows that very flat quantum well (QW) interfaces were realized. A clear defect trapping inside the trenches is observed whereas the ridge material is free of threading dislocations with only a very low density of planar defects. Pronounced QW photoluminescence (PL) is detected from different ridge sizes at room temperature. The potential of these III/V nano ridges for laser integration on Si substrates is emphasized by the achieved ridge volume which could enable wave guidance and by the high crystal quality in line with the distinct PL.« less

Divacancy complexes induced by Cu diffusion in Zn-doped GaAs

NASA Astrophysics Data System (ADS)

Elsayed, M.; Krause-Rehberg, R.; Korff, B.; Ratschinski, I.; Leipner, H. S.

2013-08-01

Positron annihilation spectroscopy was applied to investigate the nature and thermal behavior of defects induced by Cu diffusion in Zn-doped p-type GaAs crystals. Cu atoms were intentionally introduced in the GaAs lattice through thermally activated diffusion from a thin Cu capping layer at 1100 °C under defined arsenic vapor pressure. During isochronal annealing of the obtained Cu-diffused GaAs in the temperature range of 450-850 K, vacancy clusters were found to form, grow and finally disappear. We found that annealing at 650 K triggers the formation of divacancies, whereas further increasing in the annealing temperature up to 750 K leads to the formation of divacancy-copper complexes. The observations suggest that the formation of these vacancy-like defects in GaAs is related to the out-diffusion of Cu. Two kinds of acceptors are detected with a concentration of about 1016 - 1017 cm-3, negative ions and arsenic vacancy copper complexes. Transmission electron microscopy showed the presence of voids and Cu precipitates which are not observed by positron measurements. The positron binding energy to shallow traps is estimated using the positron trapping model. Coincidence Doppler broadening spectroscopy showed the presence of Cu in the immediate vicinity of the detected vacancies. Theoretical calculations suggested that the detected defect is VGaVAs-2CuGa.

Microstructure Hierarchical Model of Competitive e+-Ps Trapping in Nanostructurized Substances: from Nanoparticle-Uniform to Nanoparticle-Biased Systems.

PubMed

Shpotyuk, Oleh; Ingram, Adam; Bujňáková, Zdenka; Baláž, Peter

2017-12-01

Microstructure hierarchical model considering the free-volume elements at the level of interacting crystallites (non-spherical approximation) and the agglomerates of these crystallites (spherical approximation) was developed to describe free-volume evolution in mechanochemically milled As 4 S 4 /ZnS composites employing positron annihilation spectroscopy in a lifetime measuring mode. Positron lifetime spectra were reconstructed from unconstrained three-term decomposition procedure and further subjected to parameterization using x3-x2-coupling decomposition algorithm. Intrinsic inhomogeneities due to coarse-grained As 4 S 4 and fine-grained ZnS nanoparticles were adequately described in terms of substitution trapping in positron and positronium (Ps) (bound positron-electron) states due to interfacial triple junctions between contacting particles and own free-volume defects in boundary compounds. Compositionally dependent nanostructurization in As 4 S 4 /ZnS nanocomposite system was imagined as conversion from o-Ps trapping sites to positron traps. The calculated trapping parameters that were shown could be useful to characterize adequately the nanospace filling in As 4 S 4 /ZnS composites.

Mechanism for Broadband White-Light Emission from Two-Dimensional (110) Hybrid Perovskites.

PubMed

Hu, Te; Smith, Matthew D; Dohner, Emma R; Sher, Meng-Ju; Wu, Xiaoxi; Trinh, M Tuan; Fisher, Alan; Corbett, Jeff; Zhu, X-Y; Karunadasa, Hemamala I; Lindenberg, Aaron M

2016-06-16

The recently discovered phenomenon of broadband white-light emission at room temperature in the (110) two-dimensional organic-inorganic perovskite (N-MEDA)[PbBr4] (N-MEDA = N(1)-methylethane-1,2-diammonium) is promising for applications in solid-state lighting. However, the spectral broadening mechanism and, in particular, the processes and dynamics associated with the emissive species are still unclear. Herein, we apply a suite of ultrafast spectroscopic probes to measure the primary events directly following photoexcitation, which allows us to resolve the evolution of light-induced emissive states associated with white-light emission at femtosecond resolution. Terahertz spectra show fast free carrier trapping and transient absorption spectra show the formation of self-trapped excitons on femtosecond time-scales. Emission-wavelength-dependent dynamics of the self-trapped exciton luminescence are observed, indicative of an energy distribution of photogenerated emissive states in the perovskite. Our results are consistent with photogenerated carriers self-trapped in a deformable lattice due to strong electron-phonon coupling, where permanent lattice defects and correlated self-trapped states lend further inhomogeneity to the excited-state potential energy surface.

[Pest control in your garden - a case series of severe hand injuries caused by privately used explosives and shot traps].

PubMed

Könneker, S; Krezdorn, N; Vogt, P M; Altintas, M A; Hiller, M T; Ipaktchi, R; Radtke, C

2016-10-01

Booby traps and gun-like devices for vole control can lead to complex trauma requiring emergency medical care. We present a case series of patients who suffered severe hand and facial trauma through detonation of booby traps and paraphernalia (n = 9, Ø 60 years of age). All patients were admitted to the emergency department of Hannover Medical School for primary care. Between 2011 and 2015 we treated six patients with hand trauma due to gun-like devices, two patients with hand trauma due to booby traps, and one patient with injury to the face including eyes due to a gas cartridge explosion. All hand trauma patients (n = 8) showed injuries of the soft tissue. Six of these patients also presented fractures or lesions of capsular or tendon structures. Therapies included debridement as well as skin grafts or flaps for tissue defect coverage. We informed the Department for Commercial Safety (Gewerbeaufsicht Hannover) in 2014 because we believe that these traps pose a serious safety hazard.

Measurements, modeling, and simulation of semiconductor/gate dielectric defects using random telegraph signals

NASA Astrophysics Data System (ADS)

Nour, Mohamed

Constructing an effective statistical model and a simulation tool that can predict the phenomenon of random telegraph signals (RTS) is the objective of this work. The continuous scaling down of metal oxide -- semiconductor field effect transistors (MOSFETs) makes charging/discharging traps(s) located at the silicon/silicon dioxide interface or deep in the oxide bulk by mobile charge(s) a more pronounced problem for both analog and digital applications. The intent of this work is to develop an RTS statistical model and a simulation tool based on first principles and supported by extensive experimental data. The newly developed RTS statistical model and its simulation tool should be able to replicate and predict the RTS in time and frequency domains. First, room temperature RTS measurements are performed which provide limited information about the trap. They yield the extraction of some trap and RTS characteristics such as average capture and emission times associated with RTS traces, trap position in the oxide with respect to the Si/SiO 2 interface and along the channel with respect to the source, capture cross section, and trap energies in the Si and SiO2 band -- gaps. Variable temperature measurements, on the other hand, yield much more valuable information. Variable temperature RTS measurements from room temperature down to 80 K were performed, with the MOSFET biased from threshold voltage to strong inversion, in the linear and saturation regions. Variable temperature RTS measurements yield the extraction of trap characteristics such as capture cross -- section prefactor, capture and emission activation energies, change in entropy and enthalpy, and relaxation energy associated with a trap from which the nature and origin of a defect center can be identified. The newly developed Random Telegraph Signals Simulation (RTSSIM) is based on several physical principles and mechanisms e.g. (1) capturing and emitting a mobile charge from and to the channel is governed by phonon- assisted- tunneling, (2) traps only within a few kBT of the Fermi energy level are considered electrically active, (3) trap density is taken as U -- shaped in energy in the silicon band-gap, (4) device scalability is accounted for, (5) and temperature dependence of all parameters is considered. RTSSIM reconstructs the RTS traces in time domain from which the power spectral density (PSD) is evaluated. If there is 20 or more active traps, RTSSIM evaluates the PSD from the superposition of the RTS spectra. RTSSIM extracts RTS and trap characteristics from the simulated RTS data and outputs them to MS Excel files for further analyses and study. The novelty of this work is: (1) it is the first time quantum trap states have been accurately assigned to each switching level in a complex RTS corresponding to dependently and independently interacting traps, (2) new physics-based measurement-driven model and simulation tool has been developed for RTS phenomenon in a MOSFET, (3) and it is the first time a species in SiO2 responsible for RTS has been identified through time-domain measurements and extensive analysis using four trap characteristics at the same time.

A Computational Framework for Automation of Point Defect Calculations

NASA Astrophysics Data System (ADS)

Goyal, Anuj; Gorai, Prashun; Peng, Haowei; Lany, Stephan; Stevanovic, Vladan; National Renewable Energy Laboratory, Golden, Colorado 80401 Collaboration

A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. The package provides the capability to compute widely accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3as test examples, we demonstrate the package capabilities and validate the methodology. We believe that a robust automated tool like this will enable the materials by design community to assess the impact of point defects on materials performance. National Renewable Energy Laboratory, Golden, Colorado 80401.

Point defect weakened thermal contraction in monolayer graphene

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

Zha, Xian-Hu; Department of Physics, University of Science and Technology of China, Hefei; USTC-CityU Joint Advanced Research Centre, Suzhou 215123

We investigate the thermal expansion behaviors of monolayer graphene and three configurations of graphene with point defects, namely the replacement of one carbon atom with a boron or nitrogen atom, or of two neighboring carbon atoms by boron-nitrogen atoms, based on calculations using first-principles density functional theory. It is found that the thermal contraction of monolayer graphene is significantly decreased by point defects. Moreover, the corresponding temperature for negative linear thermal expansion coefficient with the maximum absolute value is reduced. The cause is determined to be point defects that enhance the mechanical strength of graphene and then reduce the amplitudemore » and phonon frequency of the out-of-plane acoustic vibration mode. Such defect weakening of graphene thermal contraction will be useful in nanotechnology to diminish the mismatching or strain between the graphene and its substrate.« less

Large dielectric constant, high acceptor density, and deep electron traps in perovskite solar cell material CsGeI 3

DOE PAGES

Ming, Wenmei; Shi, Hongliang; Du, Mao-Hua

2016-01-01

Here we report that many metal halides that contain cations with the ns 2 electronic configuration have recently been discovered as high-performance optoelectronic materials. In particular, solar cells based on lead halide perovskites have shown great promise as evidenced by the rapid increase of the power conversion efficiency. In this paper, we show density functional theory calculations of electronic structure and dielectric and defect properties of CsGeI 3 (a lead-free halide perovskite material). The potential of CsGeI 3 as a solar cell material is assessed based on its intrinsic properties. We find anomalously large Born effective charges and a largemore » static dielectric constant dominated by lattice polarization, which should reduce carrier scattering, trapping, and recombination by screening charged defects and impurities. Defect calculations show that CsGeI 3 is a p-type semiconductor and its hole density can be modified by varying the chemical potentials of the constituent elements. Despite the reduction of long-range Coulomb attraction by strong screening, the iodine vacancy in CsGeI3 is found to be a deep electron trap due to the short-range potential, i.e., strong Ge–Ge covalent bonding, which should limit electron transport efficiency in p-type CsGeI 3. This is in contrast to the shallow iodine vacancies found in several Pb and Sn halide perovskites (e.g., CH 3NH 3PbI 3, CH 3NH 3SnI 3, and CsSnI 3). The low-hole-density CsGeI 3 may be a useful solar absorber material but the presence of the low-energy deep iodine vacancy may significantly reduce the open circuit voltage of the solar cell. Still, on the other hand, CsGeI 3 may be used as an efficient hole transport material in solar cells due to its small hole effective mass, the absence of low-energy deep hole traps, and the favorable band offset with solar absorber materials such as dye molecules and CH 3NH 3PbI 3.« less

Oxygen deficiency in Ti O2 : Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase

NASA Astrophysics Data System (ADS)

Deák, Peter; Aradi, Bálint; Frauenheim, Thomas

2015-07-01

Ti O2 is an oxygen-deficient, intrinsically n -type material, but it is often debated whether the electrons are donated by oxygen vacancies (VO) or titanium interstitials (T ii) . Investigating this issue is complicated by the fact that rutile can self-trap electrons in intrinsic small polaron states, while bulk anatase cannot. The screened hybrid functional HSE06 was proven to account for this phenomenon and has provided quantitatively correct results for VO in our earlier study. Here, we use it for T ii in both rutile and anatase, allowing full spin and symmetry freedom, to shed light on the similarities and differences to VO. We find that these two defects give rise to very similar fingerprints in electron paramagnetic resonance, infrared absorption, or photoelectron spectra. In weakly reduced rutile, the ground state of both defects is (2 +) , with two electrons in polaronic traps, bound loosely to the defect. Most of the time, only these latter states (crudely resembling a hydrogenic series, with increasing distance from the defect) are likely to be detected. In anatase, both VO and T ii can be expected to be ionized at room temperature (singly and doubly, respectively), and the next vertical ionization energy is similar in the two defects—and very close to the ionization energy of the bound polarons in rutile. Most signals in paramagnetic resonance experiments on rutile must also be related to the polaron states, and, in general, very special conditions have to be fulfilled to detect electrons localized to VO or T ii itself. We show that, in thermal equilibrium, the dominant defect in intrinsic samples is VO, and T ii can be the majority defect only in strongly reduced anatase, or in case of p -type doping.

Interplay of point defects, biaxial strain, and thermal conductivity in homoepitaxial SrTiO3 thin films

NASA Astrophysics Data System (ADS)

Wiedigen, S.; Kramer, T.; Feuchter, M.; Knorr, I.; Nee, N.; Hoffmann, J.; Kamlah, M.; Volkert, C. A.; Jooss, Ch.

2012-02-01

Separating out effects of point defects and lattice strain on thermal conductivity is essential for improvement of thermoelectric properties of SrTiO3. We study relations between defects generated during deposition, induced lattice strain, and their impact on thermal conductivity κ in homoepitaxial SrTiO3 films prepared by ion-beam sputtering. Lowering the deposition temperature gives rise to lattice expansion by enhancement of point defect density which increases the hardness of the films. Due to a fully coherent substrate-film interface, the lattice misfit induces a large biaxial strain. However, we can show that the temperature dependence of κ is mainly sensitive on the defect concentration.

Anomalous Quasiparticle Symmetries and Non-Abelian Defects on Symmetrically Gapped Surfaces of Weak Topological Insulators.

PubMed

Mross, David F; Essin, Andrew; Alicea, Jason; Stern, Ady

2016-01-22

We show that boundaries of 3D weak topological insulators can become gapped by strong interactions while preserving all symmetries, leading to Abelian surface topological order. The anomalous nature of weak topological insulator surfaces manifests itself in a nontrivial action of symmetries on the quasiparticles; most strikingly, translations change the anyon types in a manner impossible in strictly 2D systems with the same symmetry. As a further consequence, screw dislocations form non-Abelian defects that trap Z_{4} parafermion zero modes.

First-principles study of codoping in lanthanum bromide

NASA Astrophysics Data System (ADS)

Erhart, Paul; Sadigh, Babak; Schleife, André; Åberg, Daniel

2015-04-01

Codoping of Ce-doped LaBr3 with Ba, Ca, or Sr improves the energy resolution that can be achieved by radiation detectors based on these materials. Here, we present a mechanism that rationalizes this enhancement on the basis of first-principles electronic structure calculations and point defect thermodynamics. It is shown that incorporation of Sr creates neutral VBr-SrLa complexes that can temporarily trap electrons. As a result, Auger quenching of free carriers is reduced, allowing for a more linear, albeit slower, scintillation light yield response. Experimental Stokes shifts can be related to different CeLa-SrLa-VBr triple complex configurations. Codoping with other alkaline as well as alkaline-earth metals is considered as well. Alkaline elements are found to have extremely small solubilities on the order of 0.1 ppm and below at 1000 K. Among the alkaline-earth metals the lighter dopant atoms prefer interstitial-like positions and create strong scattering centers, which has a detrimental impact on carrier mobilities. Only the heavier alkaline-earth elements (Ca, Sr, Ba) combine matching ionic radii with sufficiently high solubilities. This provides a rationale for the experimental finding that improved scintillator performance is exclusively achieved using Sr, Ca, or Ba. The present mechanism demonstrates that codoping of wide-gap materials can provide an efficient means for managing charge carrier populations under out-of-equilibrium conditions. In the present case dopants are introduced that manipulate not only the concentrations but also the electronic properties of intrinsic defects without introducing additional gap levels. This leads to the availability of shallow electron traps that can temporarily localize charge carriers, effectively deactivating carrier-carrier recombination channels. The principles of this mechanism are therefore not specific to the material considered here but can be adapted for controlling charge carrier populations and recombination in other wide-gap materials.

Hydrogen passivation of N(+)-P and P(+)-N heteroepitaxial InP solar cell structures

NASA Technical Reports Server (NTRS)

Chatterjee, Basab; Davis, William C.; Ringel, Steve A.; Hoffman, Richard, Jr.

1996-01-01

Dislocations and related point defect complexes caused by lattice mismatch currently limit the performance of heteroepitaxial InP cells by introducing shunting paths across the active junction and by the formation of deep traps within the base region. We have previously demonstrated that plasma hydrogenation is an effective and stable means to passivate the electrical activity of such defects in specially designed heteroepitaxial InP test structures to probe hydrogen passivation at typical base depths within a cell structure. In this work, we present our results on the hydrogen passivation of actual heteroepitaxial n-p and p-n InP cell structures grown on GaAs substrates by metalorganic chemical vapor deposition (MOCVD). We have found that a 2 hour exposure to a 13.56 MHz hydrogen plasma at 275 C reduces the deep level concentration in the base regions of both n(+)-p and p(+)-n heteroepitaxial InP cell structures from as-grown values of 5-7 x 10(exp 14) cm(exp -3), down to 3-5 x 10(exp 12) cm(exp -3). All dopants were successfully reactivated by a 400 C, 5 minute anneal with no detectable activation of deep levels. One to five analysis indicated a subsequent approximately 100 fold decrease in reverse leakage current at -1 volt reverse bias, and an improved built in voltage for the p(+)-n structures. In addition to being passivated, dislocations are also shown to participate in secondary interactions during hydrogenation. We find that the presence of dislocations enhances hydrogen diffusion into the cell structure, and lowers the apparent dissociation energy of Zn-H complexes from 1.19 eV for homoepitaxial Zn-doped InP to 1.12 eV for heteroepitaxial Zn-doped InP. This is explained by additional hydrogen trapping at dislocations subsequent to the reactivation of Zn dopants after hydrogenation.

Hydrogen Passivation of N(+)P and P(+)N Heteroepitaxial InP Solar Cell Structures

NASA Technical Reports Server (NTRS)

Chatterjee, B.; Davis, W. C.; Ringel, S. A.; Hoffman, R., Jr.

1995-01-01

Dislocations and related point defect complexes caused by lattice mismatch currently limit the performance of heteroepitaxial InP cells by introducing shunting paths across the active junction and by the formation of deep traps within the base region. We have previously demonstrated that plasma hydrogenation is an effective and stable means to passivate the electrical activity of such defects in specially designed heteroepitaxial InP test structures to probe hydrogen passivation at typical base depths within a cell structure. In this work, we present our results on the hydrogen passivation of actual heteroepitaxial n(+)p and p(+)n InP cell structures grown on GaAs substrates by metalorganic chemical vapor deposition (MOCVD). We have found that a 2 hour exposure to a 13.56 MHz hydrogen plasma at 275 C reduces the deep level concentration in the base regions of both n(+)p and p(+)n heteroepitaxial InP cell structures from as-grown values of 5 - 7 x 10(exp 14)/cc, down to 3 - 5 x 10(exp 12)/cc. All dopants were successfully reactivated by a 400 C, 5 minute anneal With no detectable activation of deep levels. I-V analysis indicated a subsequent approx. 100 fold decrease In reverse leakage current at -1 volt reverse bias, and an improved built in voltage for the p(+)n structures. ln addition to being passivated,dislocations are also shown to participate in secondary interactions during hydrogenation. We find that the presence of dislocations enhances hydrogen diffusion into the cell structure, and lowers the apparent dissociation energy of Zn-H complexes from 1.19 eV for homoepitaxial Zn-doped InP to 1.12 eV for heteroepitaxial Zn-doped InP. This is explained by additional hydrogen trapping at dislocations subsequent to the reactivation of Zn dopants after hydrogenation.

Nanoscale interfacial defect shedding in a growing nematic droplet.

PubMed

Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

2017-08-01

Interfacial defect shedding is the most recent known mechanism for defect formation in a thermally driven isotropic-to-nematic phase transition. It manifests in nematic-isotropic interfaces going through an anchoring switch. Numerical computations in planar geometry established that a growing nematic droplet can undergo interfacial defect shedding, nucleating interfacial defect structures that shed into the bulk as +1/2 point defects. By extending the study of interfacial defect shedding in a growing nematic droplet to larger length and time scales, and to three dimensions, we unveil an oscillatory growth mode involving shape and anchoring transitions that results in a controllable regular distributions of point defects in planar geometry, and complex structures of disclination lines in three dimensions.

Complex Interaction Mechanisms between Dislocations and Point Defects Studied in Pure Aluminium by a Two-Wave Acoustic Coupling Technique

NASA Astrophysics Data System (ADS)

Bremnes, O.; Progin, O.; Gremaud, G.; Benoit, W.

1997-04-01

Ultrasonic experiments using a two-wave coupling technique were performed on 99.999% pure Al in order to study the interaction mechanisms occurring between dislocations and point defects. The coupling technique consists in measuring the attenuation of ultrasonic waves during low-frequency stress cycles (t). One obtains closed curves () called signatures whose shape and evolution are characteristic of the interaction mechanism controlling the low-frequency dislocation motion. The signatures observed were attributed to the interaction of the dislocations with extrinsic point defects. A new interpretation of the evolution of the signatures measured below 200 K with respect to temperature and stress frequency had to be established: they are linked to depinning of immobile point defects, whereas a thermally activated depinning mechanism does not fit the observations. The signatures measured between 200 and 370 K were interpreted as dragging and depinning of extrinsic point defects which are increasingly mobile with temperature.

Asymmetric interaction of point defects and heterophase interfaces in ZrN/TaN multilayered nanofilms.

PubMed

Lao, Yuanxia; Hu, Shuanglin; Shi, Yunlong; Deng, Yu; Wang, Fei; Du, Hao; Zhang, Haibing; Wang, Yuan

2017-01-05

Materials with a high density of heterophase interfaces, which are capable of absorbing and annihilating radiation-induced point defects, can exhibit a superior radiation tolerance. In this paper, we investigated the interaction behaviors of point defects and heterophase interfaces by implanting helium atoms into the ZrN/TaN multilayered nanofilms. It was found that the point defect-interface interaction on the two sides of the ZrN/TaN interface was asymmetric, likely due to the difference in the vacancy formation energies of ZrN and TaN. The helium bubbles could migrate from the ZrN layers into the TaN layers through the heterophase interfaces, resulting in a better crystallinity of the ZrN layers and a complete amorphization of the TaN layers. The findings provided some clues to the fundamental behaviors of point defects near the heterophase interfaces, which make us re-examine the design rules of advanced radiation-tolerant materials.

Asymmetric interaction of point defects and heterophase interfaces in ZrN/TaN multilayered nanofilms

NASA Astrophysics Data System (ADS)

Lao, Yuanxia; Hu, Shuanglin; Shi, Yunlong; Deng, Yu; Wang, Fei; Du, Hao; Zhang, Haibing; Wang, Yuan

2017-01-01

Materials with a high density of heterophase interfaces, which are capable of absorbing and annihilating radiation-induced point defects, can exhibit a superior radiation tolerance. In this paper, we investigated the interaction behaviors of point defects and heterophase interfaces by implanting helium atoms into the ZrN/TaN multilayered nanofilms. It was found that the point defect-interface interaction on the two sides of the ZrN/TaN interface was asymmetric, likely due to the difference in the vacancy formation energies of ZrN and TaN. The helium bubbles could migrate from the ZrN layers into the TaN layers through the heterophase interfaces, resulting in a better crystallinity of the ZrN layers and a complete amorphization of the TaN layers. The findings provided some clues to the fundamental behaviors of point defects near the heterophase interfaces, which make us re-examine the design rules of advanced radiation-tolerant materials.

Asymmetric interaction of point defects and heterophase interfaces in ZrN/TaN multilayered nanofilms

PubMed Central

Lao, Yuanxia; Hu, Shuanglin; Shi, Yunlong; Deng, Yu; Wang, Fei; Du, Hao; Zhang, Haibing; Wang, Yuan

2017-01-01

Materials with a high density of heterophase interfaces, which are capable of absorbing and annihilating radiation-induced point defects, can exhibit a superior radiation tolerance. In this paper, we investigated the interaction behaviors of point defects and heterophase interfaces by implanting helium atoms into the ZrN/TaN multilayered nanofilms. It was found that the point defect-interface interaction on the two sides of the ZrN/TaN interface was asymmetric, likely due to the difference in the vacancy formation energies of ZrN and TaN. The helium bubbles could migrate from the ZrN layers into the TaN layers through the heterophase interfaces, resulting in a better crystallinity of the ZrN layers and a complete amorphization of the TaN layers. The findings provided some clues to the fundamental behaviors of point defects near the heterophase interfaces, which make us re-examine the design rules of advanced radiation-tolerant materials. PMID:28053307

Charging and breakdown in amorphous dielectrics: Phenomenological modeling approach and applications

NASA Astrophysics Data System (ADS)

Palit, Sambit

Amorphous dielectrics of different thicknesses (nm to mm) are used in various applications. Low temperature processing/deposition of amorphous thin-film dielectrics often result in defect-states or electronic traps. These traps are responsible for increased leakage currents and bulk charge trapping in many associated applications. Additional defects may be generated during regular usage, leading to electrical breakdown. Increased leakage currents, charge trapping and defect generation/breakdown are important and pervasive reliability concerns in amorphous dielectrics. We first explore the issue of charge accumulation and leakage in amorphous dielectrics. Historically, charge transport in amorphous dielectrics has been presumed, depending on the dielectric thickness, to be either bulk dominated (Frenkel-Poole (FP) emission) or contact dominated (Fowler-Nordheim tunneling). We develop a comprehensive dielectric charging modeling framework which solves for the transient and steady state charge accumulation and leakage currents in an amorphous dielectric, and show that for intermediate thickness dielectrics, the conventional assumption of FP dominated current transport is incorrect, and may lead to false extraction of dielectric parameters. We propose an improved dielectric characterization methodology based on an analytical approximation of our model. Coupled with ab-initio computed defect levels, the dielectric charging model explains measured leakage currents more accurately with lesser empiricism. We study RF-MEMS capacitive switches as one of the target applications of intermediate thickness amorphous dielectrics. To achieve faster analysis and design of RF-MEMS switches in particular, and electro-mechanical actuators in general, we propose a set of fundamental scaling relationships which are independent of specific physical dimensions and material properties; the scaling relationships provide an intrinsic classification of all electro-mechanical actuators. However, RF-MEMS capacitive switches are plagued by the reliability issue of temporal shifts of actuation voltages due to dielectric charge accumulation, often resulting in failure due to membrane stiction. Using the dielectric charging model, we show that in spite of unpredictable roughness of deposited dielectrics, there are predictable shifts in actuation voltages due to dielectric charging in RF-MEMS switches. We also propose a novel non-obtrusive, non-contact, fully electronic resonance based technique to characterize charging driven actuation shifts in RF-MEMS switches which overcomes limitations in conventionally used methods. Finally, we look into the issue of defect generation and breakdown in thick polymer dielectrics. Polymer materials often face premature electrical breakdown due to high electric fields and frequencies, and exposure to ambient humidity conditions. Using a field-driven correlated defect generation model, coupled with a model for temperature rise due to dielectric heating at AC stresses, we explain measured trends in time-to-breakdown and breakdown electric fields in polymer materials. Using dielectric heating we are able to explain the observed lifetime and dielectric strength reduction with increasing dielectric thicknesses. Performing lifetime measurements after exposure to controlled humidity conditions, we find that moisture ingress into a polymer material reduces activation barriers for chain breakage and increases dielectric heating. Overall, this thesis develops a comprehensive framework of dielectric charging, leakage and degradation of insulators of different thicknesses that have broad applications in multiple technologies.

The nature of excess electrons in anatase and rutile from hybrid DFT and RPA.

PubMed

Spreafico, Clelia; VandeVondele, Joost

2014-12-21

The behavior of excess electrons in undoped and defect free bulk anatase and rutile TiO2 has been investigated by state-of-the-art electronic structure methods including hybrid density functional theory (DFT) and the random phase approximation (RPA). Consistent with experiment, charge trapping and polaron formation is observed in both anatase and rutile. The difference in the anisotropic shape of the polarons is characterized, confirming for anatase the large polaron picture. For anatase, where polaron formation energies are small, charge trapping is observed also with standard hybrid functionals, provided the simulation cell is sufficiently large (864 atoms) to accommodate the lattice relaxation. Even though hybrid orbitals are required as a starting point for RPA in this system, the obtained polaron formation energies are relatively insensitive to the amount of Hartree-Fock exchange employed. The difference in trapping energy between rutile and anatase can be obtained accurately with both hybrid functionals and RPA. Computed activation energies for polaron hopping and delocalization clearly show that anatase and rutile might have different charge transport mechanisms. In rutile, only hopping is likely, whereas in anatase hopping and delocalization are competing. Delocalization will result in conduction-band-like and thus enhanced transport. Anisotropic conduction, in agreement with experimental data, is observed, and results from the tendency to delocalize in the [001] direction in rutile and the (001) plane in anatase. For future work, our calculations serve as a benchmark and suggest RPA on top on hybrid orbitals (PBE0 with 30% Hartree-Fock exchange), as a suitable method to study the rich chemistry and physics of TiO2.

Residual CO2 trapping in Indiana limestone.

PubMed

El-Maghraby, Rehab M; Blunt, Martin J

2013-01-02

We performed core flooding experiments on Indiana limestone using the porous plate method to measure the amount of trapped CO(2) at a temperature of 50 °C and two pressures: 4.2 and 9 MPa. Brine was mixed with CO(2) for equilibration, then the mixture was circulated through a sacrificial core. Porosity and permeability tests conducted before and after 884 h of continuous core flooding confirmed negligible dissolution. A trapping curve for supercritical (sc)CO(2) in Indiana showing the relationship between the initial and residual CO(2) saturations was measured and compared with that of gaseous CO(2). The results were also compared with scCO(2) trapping in Berea sandstone at the same conditions. A scCO(2) residual trapping end point of 23.7% was observed, indicating slightly less trapping of scCO(2) in Indiana carbonates than in Berea sandstone. There is less trapping for gaseous CO(2) (end point of 18.8%). The system appears to be more water-wet under scCO(2) conditions, which is different from the trend observed in Berea; we hypothesize that this is due to the greater concentration of Ca(2+) in brine at higher pressure. Our work indicates that capillary trapping could contribute to the immobilization of CO(2) in carbonate aquifers.

The Interface Influence in TiN/SiN x Multilayer Nanocomposite Under Irradiation

NASA Astrophysics Data System (ADS)

Uglov, V. V.; Safronov, I. V.; Kvasov, N. T.; Remnev, G. E.; Shimanski, V. I.

2018-01-01

The paper focuses on studying the kinetics of radiation-induced point defects formed in TiN/SiN x multilayer nanocomposites with account of their generation, diffusion recombination, and the influence of sinks functioning as interfaces. In order to describe the kinetics in nanocrystalline TiN and amorphous SiN x phases, a finite-difference method is used to solve the system of balance kinetic equations for absolute defect concentrations depending on the spatiotemporal variables. A model of the disclination-dislocation interface structure is used to study the absorption of radiation-induced point defects on the boundaries in created stress fields. It is shown that the interface effectively absorbs point defects in these phases of TiN/SiN x multilayer nanocomposite, thereby reducing their amount within the space between phases. This behavior of point defects partially explains a mechanism of the radiation resistance in this type of nanocomposites.

Three-dimensional imaging of individual point defects using selective detection angles in annular dark field scanning transmission electron microscopy.

PubMed

Johnson, Jared M; Im, Soohyun; Windl, Wolfgang; Hwang, Jinwoo

2017-01-01

We propose a new scanning transmission electron microscopy (STEM) technique that can realize the three-dimensional (3D) characterization of vacancies, lighter and heavier dopants with high precision. Using multislice STEM imaging and diffraction simulations of β-Ga 2 O 3 and SrTiO 3 , we show that selecting a small range of low scattering angles can make the contrast of the defect-containing atomic columns substantially more depth-dependent. The origin of the depth-dependence is the de-channeling of electrons due to the existence of a point defect in the atomic column, which creates extra "ripples" at low scattering angles. The highest contrast of the point defect can be achieved when the de-channeling signal is captured using the 20-40mrad detection angle range. The effect of sample thickness, crystal orientation, local strain, probe convergence angle, and experimental uncertainty to the depth-dependent contrast of the point defect will also be discussed. The proposed technique therefore opens new possibilities for highly precise 3D structural characterization of individual point defects in functional materials. Copyright © 2016 Elsevier B.V. All rights reserved.

Defect Genome of Cubic Perovskites for Fuel Cell Applications

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

Balachandran, Janakiraman; Lin, Lianshan; Anchell, Jonathan S.

Heterogeneities such as point defects, inherent to material systems, can profoundly influence material functionalities critical for numerous energy applications. This influence in principle can be identified and quantified through development of large defect data sets which we call the defect genome, employing high-throughput ab initio calculations. However, high-throughput screening of material models with point defects dramatically increases the computational complexity and chemical search space, creating major impediments toward developing a defect genome. In this paper, we overcome these impediments by employing computationally tractable ab initio models driven by highly scalable workflows, to study formation and interaction of various point defectsmore » (e.g., O vacancies, H interstitials, and Y substitutional dopant), in over 80 cubic perovskites, for potential proton-conducting ceramic fuel cell (PCFC) applications. The resulting defect data sets identify several promising perovskite compounds that can exhibit high proton conductivity. Furthermore, the data sets also enable us to identify and explain, insightful and novel correlations among defect energies, material identities, and defect-induced local structural distortions. Finally, such defect data sets and resultant correlations are necessary to build statistical machine learning models, which are required to accelerate discovery of new materials.« less

Defect Genome of Cubic Perovskites for Fuel Cell Applications

DOE PAGES

Balachandran, Janakiraman; Lin, Lianshan; Anchell, Jonathan S.; ...

2017-10-10

Heterogeneities such as point defects, inherent to material systems, can profoundly influence material functionalities critical for numerous energy applications. This influence in principle can be identified and quantified through development of large defect data sets which we call the defect genome, employing high-throughput ab initio calculations. However, high-throughput screening of material models with point defects dramatically increases the computational complexity and chemical search space, creating major impediments toward developing a defect genome. In this paper, we overcome these impediments by employing computationally tractable ab initio models driven by highly scalable workflows, to study formation and interaction of various point defectsmore » (e.g., O vacancies, H interstitials, and Y substitutional dopant), in over 80 cubic perovskites, for potential proton-conducting ceramic fuel cell (PCFC) applications. The resulting defect data sets identify several promising perovskite compounds that can exhibit high proton conductivity. Furthermore, the data sets also enable us to identify and explain, insightful and novel correlations among defect energies, material identities, and defect-induced local structural distortions. Finally, such defect data sets and resultant correlations are necessary to build statistical machine learning models, which are required to accelerate discovery of new materials.« less

Impurity-defect complexes in non-implanted aluminum

NASA Astrophysics Data System (ADS)

Pedersen, F. T.; Grann, H.; Weyer, G.

1986-02-01

The formation of impurity-defect complexes in ion-implanted aluminum has been studied in the temperature interval 100 400K. Radioactive119In isotopes have been implanted. Mössbauer spectra have been measured for the 24 keV γ-radiation emitted after the decay to119Sn. The spectra could be analysed satisfactorily with two lines, one of which is known to be due to substitutional Sn. A second line, which has a higher isomer shift and lower Debye temperature, is tentatively assigned to vacancy-associated Sn, formed by trapping of thermally mobile (multi-)vacancies. Comparison to similar DPAC experiments suggests that cubic Sn-V4 complexes are formed. Some indication (˜15%) for an athermal formation of impurity defects below 175K is obtained.

Infrared Quenched Photoinduced Superconductivity

NASA Astrophysics Data System (ADS)

Federici, J. F.; Chew, D.; Guttierez-Solana, J.; Molina, G.; Savin, W.; Wilber, W.

1996-03-01

Persistant photoconductivity (PPC) and photoinduced superconductivity (PISC) in oxygen deficient YBa_2Cu_3O_6+x have received recent attention. It has been suggested that oxygen vacancy defects play an important role in the PISC/PPC mechanism.(J. F. Federici, D. Chew, B. Welker, W. Savin, J. Gutierrez-Solana, and T. Fink, Phys. Rev. B), December 1995 Supported by National Science Foundation In this model, defects trap photogenerated electrons so that electron-hole recombination can not occur thereby allowing photogenerated holes to contribute to the carrier density. Nominally, the photoinduced state is long-lived, persisting for days at low temperature. Experiment results will be presented demonstrating that the photoinduced superconductivity state can be quenched using infrared radiation. Implications for the validity of the PISC/PCC defect model will be discussed.

Disorder induced semiconductor to metal transition and modifications of grain boundaries in nanocrystalline zinc oxide thin film

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

Singh, Fouran; Kumar, Vinod; Chaudhary, Babloo

2012-10-01

This paper report on the disorder induced semiconductor to metal transition (SMT) and modifications of grain boundaries in nanocrystalline zinc oxide thin film. Disorder is induced using energetic ion irradiation. It eliminates the possibility of impurities induced transition. However, it is revealed that some critical concentration of defects is needed for inducing such kind of SMT at certain critical temperature. Above room temperature, the current-voltage characteristics in reverse bias attributes some interesting phenomenon, such as electric field induced charge transfer, charge trapping, and diffusion of defects. The transition is explained by the defects induced disorder and strain in ZnO crystallitesmore » created by high density of electronic excitations.« less

Positron annihilation study of defects in electron-irradiated single crystal zinc oxide

NASA Astrophysics Data System (ADS)

To, C. K.; Yang, B.; Beling, C. D.; Fung, S.; Ling, C. C.; Gong, M.

2011-01-01

Pressurized melt grown zinc oxide (ZnO) single crystals purchased from Cermet Inc. were irradiated by 2MeV electrons with fluence of 6x1017cm-2. Isochronal annealing from 100°C-800°C was performed on the crystals under argon and air ambience. Variable Energy Doppler Broadening Spectroscopy (VEDBS) was carried out on both the as-grown and the irradiated samples at each annealing step. The migration, agglomeration and annealing of grown-in and irradiated-introduced defects were studied. It was observed that the grown-in vacancy-type defects concentration decreased at 300°C and 600 °C. For the irradiated sample annealed in argon, the positron trapping vacancy-type defect concentration decreased at 300°C and 600°C. Further annealing the as-grown and irradiated samples in argon increased the S parameter further. For the irradiated sample annealed in air, the vacancy-type defect concentration decreases at 300°C and 700°C.

Liquid Phase Sintering

NASA Technical Reports Server (NTRS)

2004-01-01

Industry spends billions of dollars each year on machine tools to manufacture products out of metal. This includes tools for cutting every kind of metal part from engine blocks to Shuttle main engine components. Cutting tool tips often break because of weak spots or defects in their composition. Based on a new concept called defect trapping, space offers a novel environment to study defect formation in molten metal materials as they solidify. After the return of these materials from space, researchers can evaluate the source of the defect and seek ways to eliminate them in products prepared on Earth. A widely used process for cutting tip manufacturing is liquid phase sintering. Compared to Earth-sintered samples which slump due to buoyancy induced by gravity, space samples are uniformly shaped and defects remain where they are formed. By studying metals sintered in space the US tool industry can potentially enhance its worldwide competitiveness. The Consortium for Materials Development in Space along with Wyle Labs, Teledyne Advanced Materials, and McDornell Douglas have conducted experiments in space.

Microgravity

NASA Image and Video Library

2004-04-15

Industry spends billions of dollars each year on machine tools to manufacture products out of metal. This includes tools for cutting every kind of metal part from engine blocks to Shuttle main engine components. Cutting tool tips often break because of weak spots or defects in their composition. Based on a new concept called defect trapping, space offers a novel environment to study defect formation in molten metal materials as they solidify. After the return of these materials from space, researchers can evaluate the source of the defect and seek ways to eliminate them in products prepared on Earth. A widely used process for cutting tip manufacturing is liquid phase sintering. Compared to Earth-sintered samples which slump due to buoyancy induced by gravity, space samples are uniformly shaped and defects remain where they are formed. By studying metals sintered in space the US tool industry can potentially enhance its worldwide competitiveness. The Consortium for Materials Development in Space along with Wyle Labs, Teledyne Advanced Materials, and McDornell Douglas have conducted experiments in space.

Semiconducting molecular crystals: Bulk in-gap states modified by structural and chemical defects

NASA Astrophysics Data System (ADS)

Haas, S.; Krellner, C.; Goldmann, C.; Pernstich, K. P.; Gundlach, D. J.; Batlogg, B.

2007-03-01

Charge transport in organic molecular crystals is strongly influenced by the density of localized in-gap states (traps). Thus, a profound knowledge of the defect states' origin is essential. Temperature-dependent space-charge limited current (TD-SCLC) spectroscopy was used as a powerful tool to quantitatively study the density of states (DOS) in high-quality rubrene and pentacene single crystals. In particular, changes of the DOS due to intentionally induced chemical and structural defects were monitored. For instance, the controlled exposure of pentacene and rubrene to x-ray radiation results in a broad over-all increase of the DOS. Namely, the ionizing radiation induces a variety of both chemical and structural defects. On the other hand, exposure of rubrene to UV-excited oxygen is reflected in a sharp peak in the DOS, whereas in a similar experiment with pentacene oxygen acts as a dopant, and possible defects are metastable on the time-scale of the measurement, thus leaving the extracted DOS virtually unchanged.

Defect Characterization in SiGe/SOI Epitaxial Semiconductors by Positron Annihilation

PubMed Central

2010-01-01

The potential of positron annihilation spectroscopy (PAS) for defect characterization at the atomic scale in semiconductors has been demonstrated in thin multilayer structures of SiGe (50 nm) grown on UTB (ultra-thin body) SOI (silicon-on-insulator). A slow positron beam was used to probe the defect profile. The SiO2/Si interface in the UTB-SOI was well characterized, and a good estimation of its depth has been obtained. The chemical analysis indicates that the interface does not contain defects, but only strongly localized charged centers. In order to promote the relaxation, the samples have been submitted to a post-growth annealing treatment in vacuum. After this treatment, it was possible to observe the modifications of the defect structure of the relaxed film. Chemical analysis of the SiGe layers suggests a prevalent trapping site surrounded by germanium atoms, presumably Si vacancies associated with misfit dislocations and threading dislocations in the SiGe films. PMID:21170391

Use of Isobestic and Isoemission Points in Absorption and Luminescence Spectra for Study of the Transformation of Radiation Defects in Lithium Fluoride

NASA Astrophysics Data System (ADS)

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

2015-03-01

Isobestic and isoemission points are recorded in the combined absorption and luminescence spectra of two types of radiation defects involved in complex processes consisting of several simultaneous parallel and sequential reactions. These points are observed if a constant sum of two terms, each formed by the product of the concentration of the corresponding defect and a characteristic integral coefficient associated with it, is conserved. The complicated processes involved in the transformation of radiation defects in lithium fluoride are studied using these points. It is found that the ratio of the changes in the concentrations of one of the components and the reaction product remains constant in the course of several simultaneous reactions.

Origin of photoluminescence in β -G a2O3

NASA Astrophysics Data System (ADS)

Ho, Quoc Duy; Frauenheim, Thomas; Deák, Peter

2018-03-01

β -G a2O3 , a candidate material for power electronics and UV optoelectronics, shows strong room-temperature photoluminescence (PL). In addition to the three well-known bands of as-grown samples in the UV, blue, and green, also red PL was observed upon nitrogen doping. This raises the possibility of applying β -G a2O3 nanostructures as white phosphors. Using an optimized, Koopmans-compliant hybrid functional, we show that most intrinsic point defects, as well as substitutional nitrogen, act as deep acceptors, and each of the observed PL bands can be explained by electron recombination with a hole trapped in one of them. We suggest this mechanism to be general in wide-band-gap semiconductors which can only be doped n -type. Calculations on the nitrogen acceptor reproduce the observed red luminescence accurately. Earlier we have shown that not only the energy, but the polarization properties of the UV band can be explained by self-trapped hole states. Here we find that the blue band has its origin mainly in singly negative Ga-O divacancies, and the green band is caused dominantly by interstitial O atoms (with minor contribution of Ga vacancies to both). These assignments can explain the experimentally observed dependence of the PL bands on free-electron concentration and stoichiometry. The information provided here paves the way for the conscious tuning of light emission from β -G a2O3 .

Characterization of point defects in monolayer arsenene

NASA Astrophysics Data System (ADS)

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.

Electrical and optical characterizations of InAs/GaAs quantum dot solar cells

NASA Astrophysics Data System (ADS)

Han, Im Sik; Kim, Seung Hyun; Kim, Jong Su; Noh, Sam Kyu; Lee, Sang Jun; Kim, Honggyun; Kim, Deok-Kee; Leem, Jae-Young

2018-03-01

The electrical and optical characterizations of InAs/GaAs quantum dot solar cells (QDSCs) were investigated by frequency dependent capacitance-voltage ( C- V) measurements and photoreflectance (PR) spectroscopy. The C- V results confirmed that the frequency dependent junction capacitance ( C j) of QDSC is sensitive to the carrier exhaustion process through trapping and recapturing in the strain-induced defects and QD states caused by the interface strain between InAs and GaAs materials. As a result, at a low frequency (≤ 200 kHz), the C j of the QDSCs decreased with increasing InAs deposition thickness ( θ), leading to the decrease in carrier concentration ( N d) of the n-GaAs absorber layer due to the carrier losses processes caused by the trapping and re-capturing in the defects and the relatively large QDs. At θ ≤ 2.0 ML, the p-n junction electric field strength ( F pn) of the QDSCs which was evaluated by PR spectra decreased with increasing excitation photon intensity ( I ex) due to the typical field screening effect in the SC structure. On the other hand, the F pn of QDSCs with θ ≥ 2.5 ML approached a constant value with a relatively high I ex, which suggests that the decrease in photo-generated carriers in the QDSC was caused by the re-capturing and trapping process.

Probing Sub-atomistic Free-Volume Imperfections in Dry-Milled Nanoarsenicals with PAL Spectroscopy.

PubMed

Shpotyuk, Oleh; Ingram, Adam; Bujňáková, Zdenka; Baláž, Peter; Shpotyuk, Yaroslav

2016-12-01

Structural transformations caused by coarse-grained powdering and fine-grained mechanochemical milling in a dry mode were probed in high-temperature modification of tetra-arsenic tetra-sulfide known as β-As4S4. In respect to X-ray diffraction analysis, the characteristic sizes of β-As4S4 crystallites in these coarse- and fine-grained powdered pellets were 90 and 40 nm, respectively. Positron annihilation lifetime spectroscopy was employed to characterize transformations occurred in free-volume structure of these nanoarsenicals. Experimentally measured positron lifetime spectra were parameterized in respect to three- or two-term fitting procedures and respectively compared with those accumulated for single crystalline realgar α-As4S4 polymorph. The effect of coarse-grained powdering was found to result in generation of large amount of positron and positronium Ps trapping sites inside arsenicals in addition to existing ones. In fine-grained powdered β-As4S4 pellets, the positron trapping sites with characteristic free volumes close to bi- and tri-atomic vacancies were evidently dominated. These defects were supposed to originate from grain boundary regions and interfacial free volumes near aggregated β-As4S4 crystallites. Thus, the cumulative production of different positron traps with lifetimes close to defect-related lifetimes in realgar α-As4S4 polymorph was detected in fine-grained milled samples.

Electrical characterisation of deep level defects in Be-doped AlGaAs grown on (100) and (311)A GaAs substrates by MBE

PubMed Central

2011-01-01

The growth of high mobility two-dimensional hole gases (2DHGs) using GaAs-GaAlAs heterostructures has been the subject of many investigations. However, despite many efforts hole mobilities in Be-doped structures grown on (100) GaAs substrate remained considerably lower than those obtained by growing on (311)A oriented surface using silicon as p-type dopant. In this study we will report on the properties of hole traps in a set of p-type Be-doped Al0.29Ga0.71As samples grown by molecular beam epitaxy on (100) and (311)A GaAs substrates using deep level transient spectroscopy (DLTS) technique. In addition, the effect of the level of Be-doping concentration on the hole deep traps is investigated. It was observed that with increasing the Be-doping concentration from 1 × 1016 to 1 × 1017 cm-3 the number of detected electrically active defects decreases for samples grown on (311)A substrate, whereas, it increases for (100) orientated samples. The DLTS measurements also reveal that the activation energies of traps detected in (311)A are lower than those in (100). From these findings it is expected that mobilities of 2DHGs in Be-doped GaAs-GaAlAs devices grown on (311)A should be higher than those on (100). PMID:21711687

Highly Luminescent Phase-Stable CsPbI3 Perovskite Quantum Dots Achieving Near 100% Absolute Photoluminescence Quantum Yield.

PubMed

Liu, Feng; Zhang, Yaohong; Ding, Chao; Kobayashi, Syuusuke; Izuishi, Takuya; Nakazawa, Naoki; Toyoda, Taro; Ohta, Tsuyoshi; Hayase, Shuzi; Minemoto, Takashi; Yoshino, Kenji; Dai, Songyuan; Shen, Qing

2017-10-24

Perovskite quantum dots (QDs) as a new type of colloidal nanocrystals have gained significant attention for both fundamental research and commercial applications owing to their appealing optoelectronic properties and excellent chemical processability. For their wide range of potential applications, synthesizing colloidal QDs with high crystal quality is of crucial importance. However, like most common QD systems such as CdSe and PbS, those reported perovskite QDs still suffer from a certain density of trapping defects, giving rise to detrimental nonradiative recombination centers and thus quenching luminescence. In this paper, we show that a high room-temperature photoluminescence quantum yield of up to 100% can be obtained in CsPbI 3 perovskite QDs, signifying the achievement of almost complete elimination of the trapping defects. This is realized with our improved synthetic protocol that involves introducing organolead compound trioctylphosphine-PbI 2 (TOP-PbI 2 ) as the reactive precursor, which also leads to a significantly improved stability for the resulting CsPbI 3 QD solutions. Ultrafast kinetic analysis with time-resolved transient absorption spectroscopy evidence the negligible electron or hole-trapping pathways in our QDs, which explains such a high quantum efficiency. We expect the successful synthesis of the "ideal" perovskite QDs will exert profound influence on their applications to both QD-based light-harvesting and -emitting devices.

Effect of point defects on the electronic density states of SnC nanosheets: First-principles calculations

NASA Astrophysics Data System (ADS)

Majidi, Soleyman; Achour, Amine; Rai, D. P.; Nayebi, Payman; Solaymani, Shahram; Beryani Nezafat, Negin; Elahi, Seyed Mohammad

In this work, we investigated the electronic and structural properties of various defects including single Sn and C vacancies, double vacancy of the Sn and C atoms, anti-sites, position exchange and the Stone-Wales (SW) defects in SnC nanosheets by using density-functional theory (DFT). We found that various vacancy defects in the SnC monolayer can change the electronic and structural properties. Our results show that the SnC is an indirect band gap compound, with the band gap of 2.10 eV. The system turns into metal for both structure of the single Sn and C vacancies. However, for the double vacancy contained Sn and C atoms, the structure remains semiconductor with the direct band gap of 0.37 eV at the G point. We also found that for anti-site defects, the structure remains semiconductor and for the exchange defect, the structure becomes indirect semiconductor with the K-G point and the band gap of 0.74 eV. Finally, the structure of SW defect remains semiconductor with the direct band gap at K point with band gap of 0.54 eV.

Vibrational characteristics of FRP-bonded concrete interfacial defects in a low frequency regime

NASA Astrophysics Data System (ADS)

Cheng, Tin Kei; Lau, Denvid

2014-04-01

As externally bonded fiber-reinforced polymer (FRP) is a critical load-bearing component of strengthened or retrofitted civil infrastructures, the betterment of structural health monitoring (SHM) methodology for such composites is imperative. Henceforth the vibrational characteristics of near surface interfacial defects involving delamination and trapped air pockets at the FRP-concrete interface are investigated in this study using a finite element approach. Intuitively, due to its lower interfacial stiffness compared with an intact interface, a damaged region is expected to have a set of resonance frequencies different from an intact region when excited by acoustic waves. It has been observed that, when excited acoustically, both the vibrational amplitudes and frequency peaks in the response spectrum of the defects demonstrate a significant deviation from an intact FRP-bonded region. For a thin sheet of FRP bonded to concrete with sizable interfacial defects, the fundamental mode under free vibration is shown to be relatively low, in the order of kHz. Due to the low resonance frequencies of the defects, the use of low-cost equipment for interfacial defect detection via response spectrum analysis is highly feasible.

Analysis of Volatile Markers for Virgin Olive Oil Aroma Defects by SPME-GC/FID: Possible Sources of Incorrect Data.

PubMed

Oliver-Pozo, Celia; Aparicio-Ruiz, Ramón; Romero, Inmaculada; García-González, Diego L

2015-12-09

The need to explain virgin olive oil (VOO) aroma descriptors by means of volatiles has raised interest in applying analytical techniques for trapping and quantitating volatiles. Static headspace sampling with solid phase microextraction (SPME) as trapping material is one of the most applied solutions for analyzing volatiles. The use of an internal standard and the determination of the response factors of the main volatiles seem to guarantee the correct determination of volatile concentrations in VOOs by SPME-GC/FID. This paper, however, shows that the competition phenomena between volatiles in their adsorption to the SPME fiber, inherent in static headspace sampling, may affect the quantitation. These phenomena are more noticeable in the particular case of highly odorant matrices, such as rancid and vinegary VOOs with high intensity of defect. The competition phenomena can modify the measurement sensitivity, which can be observed in volatile quantitation as well as in the recording of internal standard areas in different matrices. This paper analyzes the bias of the peak areas and concentrations of those volatiles that are markers for each sensory defect of VOOs (rancid, vinegary, musty, and fusty) when the intensity and complexity of aroma are increased. Of the 17 volatile markers studied in this work, 10 presented some anomalies in the quantitation in highly odorant matrices due the competition phenomena. However, quantitation was not affected in the concentration ranges at which each volatile marker is typically found in the defective oils they were characteristic of, validating their use as markers.

Defect-related degradation of III-V/Silicon 1.55 μm DBR laser diodes

NASA Astrophysics Data System (ADS)

Buffolo, Matteo; Meneghini, Matteo; De Santi, Carlo; Trivellin, Nicola; Davenport, Michael L.; Bowers, John E.; Meneghesso, Gaudenzio; Zanoni, Enrico

2018-02-01

This paper reports on an extensive investigation on the degradation mechanisms that may limit the long term reliability of heterogeneous III-V/Silicon DBR laser diodes for integrated telecommunication applications in the 1.55 μm window. The devices under test, aged for up to 500 hours under different bias conditions, showed a gradual variation of both optical (L-I) and electrical (I-V, C-V) characteristics. In particular, the laser diodes exhibited an increase in the threshold current, a decrease of the turn-on voltage and an increase in the apparent charge density within the space-charge region, which was extrapolated from C-V measurements. For longer stress times, these two latter processes were found to be well correlated with the worsening of the optical parameters, which suggests that degradation occurred due to an increase in the density of defects within the active region, with consequent decrease in the non-radiative (SRH) lifetime. This conclusion is also supported by the fact that during stress the apparent charge profiles indicated a re-distribution of charge within the junction. A preliminary investigation on the physical origin of the defects responsible for degradation was carried out by DLTS measurements, which revealed the presence of five different deep levels, with a main trap located around 0.43 eV above the valence band energy. This trap was found to be compatible with an interface defect located between the In0.53AlxGa0.47-xAs SCH region and the InP layer.

Positron annihilation and X-ray diffraction studies on tin oxide thin films

NASA Astrophysics Data System (ADS)

Prabakar, K.; Abhaya, S.; Krishnan, R.; Kalavathi, S.; Dash, S.; Jayapandian, J.; Amarendra, G.

2009-04-01

Positron annihilation spectroscopy along with glancing incidence X-ray diffraction have been used to investigate tin oxide thin films grown on Si by pulsed laser deposition. The films were prepared at room temperature and at 670 K under oxygen partial pressure. As-grown samples are amorphous and are found to contain large concentration of open volume sites (vacancy defects). Post-deposition annealing of as-grown samples at 970 K is found to drastically reduce the number of open volume sites and the film becomes crystalline. However, film grown under elevated temperature and under partial pressure of oxygen is found to exhibit a lower S-parameter, indicating lower defect concentration. Based on the analysis of experimental positron annihilation results, the defect-sensitive S-parameter and the overlayer thickness of tin oxide thin films are deduced. S- W correlation plots exhibit distinct positron trapping defect states in three samples.

Identification of vacancy defect complexes in transparent semiconducting oxides ZnO, In2O3 and SnO2.

PubMed

Makkonen, Ilja; Korhonen, Esa; Prozheeva, Vera; Tuomisto, Filip

2016-06-08

Positron annihilation spectroscopy, when combined with supporting high-quality modeling of positron states and annihilation in matter, is a powerful tool for detailed defect identification of vacancy-type defects in semiconductors and oxides. Here we demonstrate that the Doppler broadening of the positron annihilation radiation is a very sensitive means for observing the oxygen environment around cation vacancies, the main open-volume defects trapping positrons in measurements made for transparent semiconducting oxides. Changes in the positron annihilation signal due to external manipulation such as irradiation and annealing can be correlated with the associated changes in the sizes of the detected vacancy clusters. Our examples for ZnO, In2O3 and SnO2 demonstrate that oxygen vacancies in oxides can be detected directly using positron annihilation spectroscopy when they are complexed with cation vacancies.

Identification of vacancy defect complexes in transparent semiconducting oxides ZnO, In2O3 and SnO2

NASA Astrophysics Data System (ADS)

Makkonen, Ilja; Korhonen, Esa; Prozheeva, Vera; Tuomisto, Filip

2016-06-01

Positron annihilation spectroscopy, when combined with supporting high-quality modeling of positron states and annihilation in matter, is a powerful tool for detailed defect identification of vacancy-type defects in semiconductors and oxides. Here we demonstrate that the Doppler broadening of the positron annihilation radiation is a very sensitive means for observing the oxygen environment around cation vacancies, the main open-volume defects trapping positrons in measurements made for transparent semiconducting oxides. Changes in the positron annihilation signal due to external manipulation such as irradiation and annealing can be correlated with the associated changes in the sizes of the detected vacancy clusters. Our examples for ZnO, In2O3 and SnO2 demonstrate that oxygen vacancies in oxides can be detected directly using positron annihilation spectroscopy when they are complexed with cation vacancies.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Isothermal relaxation current and microstructure changes of thermally aged polyester films impregnated by epoxy resin

NASA Astrophysics Data System (ADS)

Jiang, Xiongwei; Sun, Potao; Peng, Qingjun; Sima, Wenxia

2018-01-01

In this study, to understand the effect of thermal aging on polymer films degradation, specimens of polyester films impregnated by epoxy resin with different thermal aging temperatures (80 and 130 °C) and aging times (500, 1600, 2400 and 3000 h) are prepared, then charge de-trapping properties of specimens are investigated via the isothermal relaxation current (IRC) measurement, the distributions of trap level and its corresponding density are obtained based on the modified IRC model. It is found that the deep trap density increases remarkably at the beginning of thermal aging (before 1600 h), but it decreases obviously as the aging degree increases. At elevated aging temperature and, in particular considering the presence of air gap between two-layer insulation, the peak densities of deep traps decrease more significant in the late period of aging. It can be concluded that it is the released energy from de-trapping process leads to the fast degradation of insulation. Moreover, after thermal aging, the microstructure changes of crystallinity and molecular structures are analyzed via the x-ray diffraction experiment and Fourier transform infrared spectrometer. The results indicate that the variation of the deep trap density is closely linked with the changes of microstructure, a larger interface of crystalline/amorphous phase, more defects and broken chains caused by thermal aging form higher deep trap density stored in the samples.

An electron trap related to phosphorus deficiency in high-purity InP grown by metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Yamamoto, Norio; Uwai, Kunihiko; Takahei, Kenichiro

1989-04-01

Deep levels in high-purity InP crystal grown by metalorganic chemical vapor deposition (MOCVD) have been measured by deep level transient spectroscopy. While no electron traps are observed in the samples grown at 600 °C with a [PH3]/[In(C2H5)3] of 170, three electron traps with activation energies of 0.80, 0.44, and 0.24 eV were observed in the samples grown at 500 °C with the same [PH3]/[In(C2H5)3]. The 0.44-eV trap, whose capture cross section is 1.5×10-18 cm2, observed at a low [PH3]/[In(C2H5)3] shows a decrease in concentration as [PH3]/[In(C2H5)3] is increased, and becomes less than 5×1012 cm-3 at a [PH3]/[In(C2H5)3] of more than 170. The comparison of annealing behavior of this trap in MOCVD InP and that in liquid-encapsulated Czochralski InP suggests that the 0.44-eV trap is related to a complex formed from residual impurities and native defects related to a phosphorus deficiency such as phosphorus vacancies or indium interstitials. This trap is found to show configurational bistability similar to that observed for the trap in an Fe-doped InP, MFe center.

A Method for Automatic Surface Inspection Using a Model-Based 3D Descriptor.

PubMed

Madrigal, Carlos A; Branch, John W; Restrepo, Alejandro; Mery, Domingo

2017-10-02

Automatic visual inspection allows for the identification of surface defects in manufactured parts. Nevertheless, when defects are on a sub-millimeter scale, detection and recognition are a challenge. This is particularly true when the defect generates topological deformations that are not shown with strong contrast in the 2D image. In this paper, we present a method for recognizing surface defects in 3D point clouds. Firstly, we propose a novel 3D local descriptor called the Model Point Feature Histogram (MPFH) for defect detection. Our descriptor is inspired from earlier descriptors such as the Point Feature Histogram (PFH). To construct the MPFH descriptor, the models that best fit the local surface and their normal vectors are estimated. For each surface model, its contribution weight to the formation of the surface region is calculated and from the relative difference between models of the same region a histogram is generated representing the underlying surface changes. Secondly, through a classification stage, the points on the surface are labeled according to five types of primitives and the defect is detected. Thirdly, the connected components of primitives are projected to a plane, forming a 2D image. Finally, 2D geometrical features are extracted and by a support vector machine, the defects are recognized. The database used is composed of 3D simulated surfaces and 3D reconstructions of defects in welding, artificial teeth, indentations in materials, ceramics and 3D models of defects. The quantitative and qualitative results showed that the proposed method of description is robust to noise and the scale factor, and it is sufficiently discriminative for detecting some surface defects. The performance evaluation of the proposed method was performed for a classification task of the 3D point cloud in primitives, reporting an accuracy of 95%, which is higher than for other state-of-art descriptors. The rate of recognition of defects was close to 94%.

A Method for Automatic Surface Inspection Using a Model-Based 3D Descriptor

PubMed Central

Branch, John W.

2017-01-01

Automatic visual inspection allows for the identification of surface defects in manufactured parts. Nevertheless, when defects are on a sub-millimeter scale, detection and recognition are a challenge. This is particularly true when the defect generates topological deformations that are not shown with strong contrast in the 2D image. In this paper, we present a method for recognizing surface defects in 3D point clouds. Firstly, we propose a novel 3D local descriptor called the Model Point Feature Histogram (MPFH) for defect detection. Our descriptor is inspired from earlier descriptors such as the Point Feature Histogram (PFH). To construct the MPFH descriptor, the models that best fit the local surface and their normal vectors are estimated. For each surface model, its contribution weight to the formation of the surface region is calculated and from the relative difference between models of the same region a histogram is generated representing the underlying surface changes. Secondly, through a classification stage, the points on the surface are labeled according to five types of primitives and the defect is detected. Thirdly, the connected components of primitives are projected to a plane, forming a 2D image. Finally, 2D geometrical features are extracted and by a support vector machine, the defects are recognized. The database used is composed of 3D simulated surfaces and 3D reconstructions of defects in welding, artificial teeth, indentations in materials, ceramics and 3D models of defects. The quantitative and qualitative results showed that the proposed method of description is robust to noise and the scale factor, and it is sufficiently discriminative for detecting some surface defects. The performance evaluation of the proposed method was performed for a classification task of the 3D point cloud in primitives, reporting an accuracy of 95%, which is higher than for other state-of-art descriptors. The rate of recognition of defects was close to 94%. PMID:28974037

Traps in AlGaN /GaN/SiC heterostructures studied by deep level transient spectroscopy

NASA Astrophysics Data System (ADS)

Fang, Z.-Q.; Look, D. C.; Kim, D. H.; Adesida, I.

2005-10-01

AlGaN /GaN/SiC Schottky barrier diodes (SBDs), with and without Si3N4 passivation, have been characterized by temperature-dependent current-voltage and capacitance-voltage measurements, and deep level transient spectroscopy (DLTS). A dominant trap A1, with activation energy of 1.0 eV and apparent capture cross section of 2×10-12cm2, has been observed in both unpassivated and passivated SBDs. Based on the well-known logarithmic dependence of DLTS peak height with filling pulse width for a line-defect related trap, A1, which is commonly observed in thin GaN layers grown by various techniques, is believed to be associated with threading dislocations. At high temperatures, the DLTS signal sometimes becomes negative, likely due to an artificial surface-state effect.

Origin of bias-stress induced instability in organic thin-film transistors with semiconducting small-molecule/insulating polymer blend channel.

PubMed

Park, Ji Hoon; Lee, Young Tack; Lee, Hee Sung; Lee, Jun Young; Lee, Kimoon; Lee, Gyu Baek; Han, Jiwon; Kim, Tae Woong; Im, Seongil

2013-03-13

The stabilities of a blending type organic thin-film transistor with phase-separated TIPS-pentacene channel layer were characterized under the conditions of negative-bias-stress (NBS) and positive-bias-stress (PBS). During NBS, threshold voltage (Vth) shifts noticeably. NBS-imposed devices revealed interfacial trap density-of-states (DOS) at 1.56 and 1.66 eV, whereas initial device showed the DOS at only 1.56 eV, as measured by photoexcited charge-collection spectroscopy (PECCS) method. Possible origin of this newly created defect is related to ester group in PMMA, which induces some hole traps at the TIPS-pentacene/i-PMMA interface. PBS-imposed device showed little Vth shift but visible off-current increase as "back-channel" effect, which is attributed to the water molecules trapped on the TFT surface.

Direct observation of 0.57 eV trap-related RF output power reduction in AlGaN/GaN high electron mobility transistors

NASA Astrophysics Data System (ADS)

Arehart, A. R.; Sasikumar, A.; Rajan, S.; Via, G. D.; Poling, B.; Winningham, B.; Heller, E. R.; Brown, D.; Pei, Y.; Recht, F.; Mishra, U. K.; Ringel, S. A.

2013-02-01

This paper reports direct evidence for trap-related RF output power loss in GaN high electron mobility transistors (HEMTs) grown by metal organic chemical vapor deposition (MOCVD) through increased concentration of a specific electron trap at EC-0.57 eV that is located in the drain access region, as a function of accelerated life testing (ALT). The trap is detected by constant drain current deep level transient spectroscopy (CID-DLTS) and the CID-DLTS thermal emission time constant precisely matches the measured drain lag. Both drain lag and CID-DLTS measurements show this state to already exist in pre-stressed devices, which coupled with its strong increase in concentration as a function of stress in the absence of significant increases in concentrations of other detected traps, imply its role in causing degradation, in particular knee walkout. This study reveals EC-0.57 eV trap concentration tracks degradation induced by ALT for MOCVD-grown HEMTs supplied by several commercial and university sources. The results suggest this defect has a common source and may be a key degradation pathway in AlGaN/GaN HEMTs and/or an indicator to predict device lifetime.

Optically inactive defects in monolayer and bilayer phosphorene: A first-principles study

NASA Astrophysics Data System (ADS)

Huang, Ling-yi; Zhang, Xu; Zhang, Mingliang; Lu, Gang

2018-05-01

Many-body excitonic effect is crucial in two-dimensional (2D) materials and can significantly impact their optoelectronic properties. Because defects are inevitable in 2D materials, understanding how they influence the optical and excitonic properties of the 2D materials is of significant scientific and technological importance. Here we focus on intrinsic point defects in monolayer and bilayer phosphorene and examine whether and how their optoelectronic properties may be modified by the defects. Based on large-scale first-principles calculations, we have systematically explored the optical and excitonic properties of phosphorene in the presence and absence of the point defects. We find that the optical properties of bilayer phosphorene depend on the stacking order of the layers. More importantly, we reveal that the dominant point defects in few-layer phosphorene are optically inactive, which renders phosphorene particularly attractive in optoelectronic applications.

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

DTIC Science & Technology

2012-10-12

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

Increased p-type conductivity in GaN{sub x}Sb{sub 1−x}, experimental and theoretical aspects

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

Segercrantz, N., E-mail: natalie.segercrantz@aalto.fi; Makkonen, I.; Slotte, J.

2015-08-28

The large increase in the p-type conductivity observed when nitrogen is added to GaSb has been studied using positron annihilation spectroscopy and ab initio calculations. Doppler broadening measurements have been conducted on samples of GaN{sub x}Sb{sub 1−x} layers grown by molecular beam epitaxy, and the results have been compared with calculated first-principle results corresponding to different defect structures. From the calculated data, binding energies for nitrogen-related defects have also been estimated. Based on the results, the increase in residual hole concentration is explained by an increase in the fraction of negative acceptor-type defects in the material. As the band gapmore » decreases with increasing N concentration, the ionization levels of the defects move closer to the valence band. Ga vacancy-type defects are found to act as positron trapping defects in the material, and the ratio of Ga vacancy-type defects to Ga antisites is found to be higher than that of the p-type bulk GaSb substrate. Beside Ga vacancies, the calculated results imply that complexes of a Ga vacancy and nitrogen could be present in the material.« less

Modeling a distribution of point defects as misfitting inclusions in stressed solids

NASA Astrophysics Data System (ADS)

Cai, W.; Sills, R. B.; Barnett, D. M.; Nix, W. D.

2014-05-01

The chemical equilibrium distribution of point defects modeled as non-overlapping, spherical inclusions with purely positive dilatational eigenstrain in an isotropically elastic solid is derived. The compressive self-stress inside existing inclusions must be excluded from the stress dependence of the equilibrium concentration of the point defects, because it does no work when a new inclusion is introduced. On the other hand, a tensile image stress field must be included to satisfy the boundary conditions in a finite solid. Through the image stress, existing inclusions promote the introduction of additional inclusions. This is contrary to the prevailing approach in the literature in which the equilibrium point defect concentration depends on a homogenized stress field that includes the compressive self-stress. The shear stress field generated by the equilibrium distribution of such inclusions is proved to be proportional to the pre-existing stress field in the solid, provided that the magnitude of the latter is small, so that a solid containing an equilibrium concentration of point defects can be described by a set of effective elastic constants in the small-stress limit.

Charge transfer effects, thermo and photochromism in single crystal CVD synthetic diamond.

PubMed

Khan, R U A; Martineau, P M; Cann, B L; Newton, M E; Twitchen, D J

2009-09-09

We report on the effects of thermal treatment and ultraviolet irradiation on the point defect concentrations and optical absorption profiles of single crystal CVD synthetic diamond. All thermal treatments were below 850 K, which is lower than the growth temperature and unlikely to result in any structural change. UV-visible absorption spectroscopy measurements showed that upon thermal treatment (823 K), various broad absorption features diminished: an absorption band at 270 nm (used to deduce neutral single substitutional nitrogen (N(S)(0)) concentrations) and also two broad features centred at approximately 360 and 520 nm. Point defect centre concentrations as a function of temperature were also deduced using electron paramagnetic resonance (EPR) spectroscopy. Above ∼500 K, we observed a decrease in the concentration of N(S)(0) centres and a concomitant increase in the negatively charged nitrogen-vacancy-hydrogen (NVH) complex (NVH(-)) concentration. Both transitions exhibited an activation energy between 0.6 and 1.2 eV, which is lower than that for the N(S)(0) donor (∼1.7 eV). Finally, it was found that illuminating samples with intense short-wave ultraviolet light recovered the N(S)(0) concentration and also the 270, 360 and 520 nm absorption features. From these results, we postulate a valence band mediated charge transfer process between NVH and single nitrogen centres with an acceptor trap depth for NVH of 0.6-1.2 eV. Because the loss of N(S)(0) concentration is greater than the increase in NVH(-) concentration we also suggest the presence of another unknown acceptor existing at a similar energy to NVH. The extent to which the colour in CVD synthetic diamond is dependent on prior history is discussed.

A photophoretic-trap volumetric display

NASA Astrophysics Data System (ADS)

Smalley, D. E.; Nygaard, E.; Squire, K.; van Wagoner, J.; Rasmussen, J.; Gneiting, S.; Qaderi, K.; Goodsell, J.; Rogers, W.; Lindsey, M.; Costner, K.; Monk, A.; Pearson, M.; Haymore, B.; Peatross, J.

2018-01-01

Free-space volumetric displays, or displays that create luminous image points in space, are the technology that most closely resembles the three-dimensional displays of popular fiction. Such displays are capable of producing images in ‘thin air’ that are visible from almost any direction and are not subject to clipping. Clipping restricts the utility of all three-dimensional displays that modulate light at a two-dimensional surface with an edge boundary; these include holographic displays, nanophotonic arrays, plasmonic displays, lenticular or lenslet displays and all technologies in which the light scattering surface and the image point are physically separate. Here we present a free-space volumetric display based on photophoretic optical trapping that produces full-colour graphics in free space with ten-micrometre image points using persistence of vision. This display works by first isolating a cellulose particle in a photophoretic trap created by spherical and astigmatic aberrations. The trap and particle are then scanned through a display volume while being illuminated with red, green and blue light. The result is a three-dimensional image in free space with a large colour gamut, fine detail and low apparent speckle. This platform, named the Optical Trap Display, is capable of producing image geometries that are currently unobtainable with holographic and light-field technologies, such as long-throw projections, tall sandtables and ‘wrap-around’ displays.

Closed Paths of Light Trapped in a Closed Fermat Curve

ERIC Educational Resources Information Center

Dana-Picard, Thierry; Naiman, Aaron

2002-01-01

Geometric constructions have previously been shown that can be interpreted as rays of light trapped either in polygons or in conics, by successive reflections. The same question, trapping light in closed Fermat curves, is addressed here. Numerical methods are used to study the behaviour of the reflection points of a triangle when the degree of the…

Auroral-particle precipitation and trapping caused by electrostatic double layers in the ionosphere.

PubMed

Albert, R D; Lindstrom, P J

1970-12-25

Interpretation of high-resolution angular distribution measurements of the primary auroral electron flux detected by a rocket probe launched into a visible aurora from Fort Churchill in the fall of 1966 leads to the following conclusions. The auroral electron flux is nearly monoenergetic and has a quasi-trapped as well as a precipitating component. The quasi-trapped flux appears to be limited to a region defined by magnetic-mirror points and multiple electrostatic double layers in the ionosphere. The electrostatic field of the double-layer distribution enhances the aurora by lowering the magnetic-mirror points and supplying energy to the primary auroral electrons.

Trap density of states in small-molecule organic semiconductors: A quantitative comparison of thin-film transistors with single crystals

NASA Astrophysics Data System (ADS)

Kalb, Wolfgang L.; Haas, Simon; Krellner, Cornelius; Mathis, Thomas; Batlogg, Bertram

2010-04-01

We show that it is possible to reach one of the ultimate goals of organic electronics: producing organic field-effect transistors with trap densities as low as in the bulk of single crystals. We studied the spectral density of localized states in the band gap [trap density of states (trap DOS)] of small-molecule organic semiconductors as derived from electrical characteristics of organic field-effect transistors or from space-charge-limited current measurements. This was done by comparing data from a large number of samples including thin-film transistors (TFT’s), single crystal field-effect transistors (SC-FET’s) and bulk samples. The compilation of all data strongly suggests that structural defects associated with grain boundaries are the main cause of “fast” hole traps in TFT’s made with vacuum-evaporated pentacene. For high-performance transistors made with small-molecule semiconductors such as rubrene it is essential to reduce the dipolar disorder caused by water adsorbed on the gate dielectric surface. In samples with very low trap densities, we sometimes observe a steep increase in the trap DOS very close (<0.15eV) to the mobility edge with a characteristic slope of 10-20 meV. It is discussed to what degree band broadening due to the thermal fluctuation of the intermolecular transfer integral is reflected in this steep increase in the trap DOS. Moreover, we show that the trap DOS in TFT’s with small-molecule semiconductors is very similar to the trap DOS in hydrogenated amorphous silicon even though polycrystalline films of small-molecules with van der Waals-type interaction on the one hand are compared with covalently bound amorphous silicon on the other hand.

Luminescence properties of defects in GaN

NASA Astrophysics Data System (ADS)

Reshchikov, Michael A.; Morkoç, Hadis

2005-03-01

Gallium nitride (GaN) and its allied binaries InN and AIN as well as their ternary compounds have gained an unprecedented attention due to their wide-ranging applications encompassing green, blue, violet, and ultraviolet (UV) emitters and detectors (in photon ranges inaccessible by other semiconductors) and high-power amplifiers. However, even the best of the three binaries, GaN, contains many structural and point defects caused to a large extent by lattice and stacking mismatch with substrates. These defects notably affect the electrical and optical properties of the host material and can seriously degrade the performance and reliability of devices made based on these nitride semiconductors. Even though GaN broke the long-standing paradigm that high density of dislocations precludes acceptable device performance, point defects have taken the center stage as they exacerbate efforts to increase the efficiency of emitters, increase laser operation lifetime, and lead to anomalies in electronic devices. The point defects include native isolated defects (vacancies, interstitial, and antisites), intentional or unintentional impurities, as well as complexes involving different combinations of the isolated defects. Further improvements in device performance and longevity hinge on an in-depth understanding of point defects and their reduction. In this review a comprehensive and critical analysis of point defects in GaN, particularly their manifestation in luminescence, is presented. In addition to a comprehensive analysis of native point defects, the signatures of intentionally and unintentionally introduced impurities are addressed. The review discusses in detail the characteristics and the origin of the major luminescence bands including the ultraviolet, blue, green, yellow, and red bands in undoped GaN. The effects of important group-II impurities, such as Zn and Mg on the photoluminescence of GaN, are treated in detail. Similarly, but to a lesser extent, the effects of other impurities, such as C, Si, H, O, Be, Mn, Cd, etc., on the luminescence properties of GaN are also reviewed. Further, atypical luminescence lines which are tentatively attributed to the surface and structural defects are discussed. The effect of surfaces and surface preparation, particularly wet and dry etching, exposure to UV light in vacuum or controlled gas ambient, annealing, and ion implantation on the characteristics of the defect-related emissions is described.

System-size convergence of point defect properties: The case of the silicon vacancy

NASA Astrophysics Data System (ADS)

Corsetti, Fabiano; Mostofi, Arash A.

2011-07-01

We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the well-known finite size errors associated with calculating formation energies and stable charge state transition levels of isolated defects with periodic boundary conditions. Furthermore, we find that transition levels converge faster with respect to supercell size when only the Γ-point is sampled in the Brillouin zone, as opposed to a dense k-point sampling. This arises from the fact that defect level at the Γ-point quickly converges to a fixed value which correctly describes the bonding at the defect center. Our calculated transition levels with 1000-atom supercells and Γ-point only sampling are in good agreement with available experimental results. We also demonstrate two simple and accurate approaches for calculating the valence band offsets that are required for computing formation energies of charged defects, one based on a potential averaging scheme and the other using maximally-localized Wannier functions (MLWFs). Finally, we show that MLWFs provide a clear description of the nature of the electronic bonding at the defect center that verifies the canonical Watkins model.

Proton trapping in SiO 2 layers thermally grown on Si and SiC

NASA Astrophysics Data System (ADS)

Afanas'ev, V. V.; Ciobanu, F.; Pensl, G.; Stesmans, A.

2002-11-01

Positive charging of thermal SiO 2 layers on (1 0 0)Si and (0 0 0 1)6H-, 4H-SiC related to trapping of protons is studied using low-energy proton implantation into the oxide, and compared to the trapping of holes generated by 10-eV photons. Proton trapping has an initial probability close to 100% and shows little sensitivity to the annealing-induced oxygen deficiency of SiO 2. In contrast to protons, hole trapping in as-grown SiO 2 shows a much lower efficiency which increases upon oxide annealing, in qualitative correlation with the higher density of O 3Si• defects (E' centers) detected by electron spin resonance after hole injection. Despite these differences, the neutralization of positive charges induced by holes and protons has the same cross-section, and in both cases is accompanied by liberation of atomic H suggesting that protons account for positive charge in both cases. The rupture of Si-O bonds in the oxide observed upon proton injection suggests, as a first basic step, the bonding of a proton to a bridging oxygen atom in SiO 2 network.

Unified Electromagnetic-Electronic Design of Light Trapping Silicon Solar Cells

PubMed Central

Boroumand, Javaneh; Das, Sonali; Vázquez-Guardado, Abraham; Franklin, Daniel; Chanda, Debashis

2016-01-01

A three-dimensional unified electromagnetic-electronic model is developed in conjunction with a light trapping scheme in order to predict and maximize combined electron-photon harvesting in ultrathin crystalline silicon solar cells. The comparison between a bare and light trapping cell shows significant enhancement in photon absorption and electron collection. The model further demonstrates that in order to achieve high energy conversion efficiency, charge separation must be optimized through control of the doping profile and surface passivation. Despite having a larger number of surface defect states caused by the surface patterning in light trapping cells, we show that the higher charge carrier generation and collection in this design compensates the absorption and recombination losses and ultimately results in an increase in energy conversion efficiency. The fundamental physics behind this specific design approach is validated through its application to a 3 μm thick functional light trapping solar cell which shows 192% efficiency enhancement with respect to the bare cell of same thickness. Such a unified design approach will pave the path towards achieving the well-known Shockley-Queisser (SQ) limit for c-Si in thin-film (<30 μm) geometries. PMID:27499446

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

DOE PAGES

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; ...

2018-02-13

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) tomore » expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. As a result, we anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

NASA Astrophysics Data System (ADS)

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; Yu, Guodong; Canning, Andrew; Haranczyk, Maciej; Asta, Mark; Hautier, Geoffroy

2018-05-01

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) to expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. We anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

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

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory DFT), have found widespread use in the calculation of point defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT)more » to expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. We anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

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

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) tomore » expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. As a result, we anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces

NASA Astrophysics Data System (ADS)

Bhattacharya, Saswata; Berger, Daniel; Reuter, Karsten; Ghiringhelli, Luca M.; Levchenko, Sergey V.

2017-12-01

Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordinated atoms at structural defects such as steps and corners. Using hybrid density-functional theory and ab initio atomistic thermodynamics, we investigate the interplay of bond-making, bond-breaking, and charge-carrier trapping at the corner defects at the (100) surface of a p -doped MgO in thermodynamic equilibrium with an O2 atmosphere. We show that by manipulating the coordination of surface atoms, one can drastically change and even reverse the order of stability of reduced versus oxidized surface sites.

Waveguide apparatuses and methods

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

Spencer, James E.

2016-05-10

Optical fiber waveguides and related approaches are implemented to facilitate communication. As may be implemented in accordance with one or more embodiments, a waveguide has a substrate including a lattice structure having a plurality of lattice regions with a dielectric constant that is different than that of the substrate, a defect in the lattice, and one or more deviations from the lattice. The defect acts with trapped transverse modes (e.g., magnetic and/or electric modes) and facilitates wave propagation along a longitudinal direction while confining the wave transversely. The deviation(s) from the lattice produces additional modes and/or coupling effects.

Positron annihilation lifetime and photoluminescence studies on single crystalline ZnO

NASA Astrophysics Data System (ADS)

Sarkar, A.; Chakrabarti, Mahuya; Ray, S. K.; Bhowmick, D.; Sanyal, D.

2011-04-01

The room temperature positron annihilation lifetime for single crystalline ZnO has been measured as 164 ± 1 ps. The single component lifetime value is very close to but higher than the theoretically predicted value of ~ 154 ps. Photoluminescence study (at 10 K) indicates the presence of hydrogen and other defects, mainly acceptor related, in the crystal. Defects related to a lower open volume than zinc vacancies, presumably a complex with two hydrogen atoms, are the major trapping sites in the sample. The bulk positron lifetime in ZnO is expected to be a little less than 164 ps.

Positron annihilation lifetime and photoluminescence studies on single crystalline ZnO.

PubMed

Sarkar, A; Chakrabarti, Mahuya; Ray, S K; Bhowmick, D; Sanyal, D

2011-04-20

The room temperature positron annihilation lifetime for single crystalline ZnO has been measured as 164 ± 1 ps. The single component lifetime value is very close to but higher than the theoretically predicted value of ~154 ps. Photoluminescence study (at 10 K) indicates the presence of hydrogen and other defects, mainly acceptor related, in the crystal. Defects related to a lower open volume than zinc vacancies, presumably a complex with two hydrogen atoms, are the major trapping sites in the sample. The bulk positron lifetime in ZnO is expected to be a little less than 164 ps.

Positron annihilation induced Auger electron spectroscopic studies of oxide surfaces

NASA Astrophysics Data System (ADS)

Nadesalingam, Manori

2005-03-01

Defects on oxide surfaces are well known to play a key role in catalysis. TiO2, MgO, SiO2 surfaces were investigated using Time-Of-Flight Positron induced Auger Electron Spectroscopy (TOF-PAES). Previous work in bulk materials has demonstrated that positrons are particularly sensitive to charged defects. In PAES energetic electron emission results from Auger transitions initiated by annihilation of core electrons with positrons trapped in an image-potential well at the surface. Annealed samples in O2 environment show a strong Auger peak of Oxygen. The implication of these results will be discussed

Vacancy effects on the electronic and structural properties pentacene

NASA Astrophysics Data System (ADS)

Laraib, Iflah; Janotti, Anderson

Defects in organic crystals are likely to affect charge transport in organic electronic devices. Vacancies can create lattice distortions and modify electronic states associated with the molecules in its surrounding. Spectroscopy experiments indicate that molecular vacancies trap charge carriers. Experimental characterization of individual defects is challenging and unambiguous. Here we use density functional calculations including van der Waals interactions in a supercell approach to study the single vacancy in pentacene, a prototype organic semiconductor. We determine formation energies, local lattice relaxations, and discuss how vacancies locally distort the lattice and affect the electronic properties of the host organic semiconductor.

Phosphorus ionization in silicon doped by self-assembled macromolecular monolayers

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Line and point defects in nonlinear anisotropic solids

NASA Astrophysics Data System (ADS)

Golgoon, Ashkan; Yavari, Arash

2018-06-01

In this paper, we present some analytical solutions for the stress fields of nonlinear anisotropic solids with distributed line and point defects. In particular, we determine the stress fields of (i) a parallel cylindrically symmetric distribution of screw dislocations in infinite orthotropic and monoclinic media, (ii) a cylindrically symmetric distribution of parallel wedge disclinations in an infinite orthotropic medium, (iii) a distribution of edge dislocations in an orthotropic medium, and (iv) a spherically symmetric distribution of point defects in a transversely isotropic spherical ball.

The electronic and optical properties of amorphous silica with hydrogen defects by ab initio calculations

NASA Astrophysics Data System (ADS)

Ren, Dahua; Xiang, Baoyan; Hu, Cheng; Qian, Kai; Cheng, Xinlu

2018-04-01

Hydrogen can be trapped in the bulk materials in four forms: interstitial molecular H2, interstitial atom H, O‑H+(2Si=O–H)+, Si‑H‑( {{4O}}\\bar \\equiv {{Si&x2212H}})‑ to affect the electronic and optical properties of amorphous silica. Therefore, the electronic and optical properties of defect-free and hydrogen defects in amorphous silica were performed within the scheme of density functional theory. Initially, the negative charged states hydrogen defects introduced new defect level between the valence band top and conduction band bottom. However, the neutral and positive charged state hydrogen defects made both the valence band and conduction band transfer to the lower energy. Subsequently, the optical properties such as absorption spectra, conductivity and loss functions were analyzed. It is indicated that the negative hydrogen defects caused the absorption peak ranging from 0 to 2.0 eV while the positive states produced absorption peaks at lower energy and two strong absorption peaks arose at 6.9 and 9.0 eV. However, the neutral hydrogen defects just improved the intensity of absorption spectrum. This may give insights into understanding the mechanism of laser-induced damage for optical materials. Project supported by the Science and Technology of Hubei Provincial Department of Education (No. B2017098).

A DFT study on the failure mechanism of Al2O3 film by various point defects in solution

NASA Astrophysics Data System (ADS)

Zhang, Chuan-Hui; Chen, Bao; Jin, Ying; Sun, Dong-Bai

2018-03-01

The defects on oxide film surface are very important, and they would occur when the film is peeled or scratched. The periodic DFT calculations have been performed on Al2O3 surface to model the influences of various point-defects. Three kinds of point defect surfaces (vacancy, inversion, substitution) are considered, and the molecular H2O dissociation and the transition state are calculated. The predicted formation energy of O vacancy is 8.30 eV, whereas that corresponding to the formation of Al vacancy is found to be at least a 55% larger. On the vacancy point defect surfaces, upward H2O molecule surfaces prefer to occur chemical reaction, leading the surfaces to be hydroxylated. And then the D-Cl-substitution-Al surface is corroded, which suggests a Cl adsorption induced failure mechanism of the oxide film. At last, the process of H2O dissociation on the OH-substitution-Al surfaces with four or five transition paths are discussed.

Point defect reduction in MOCVD (Al)GaN by chemical potential control and a comprehensive model of C incorporation in GaN

NASA Astrophysics Data System (ADS)

Reddy, Pramod; Washiyama, Shun; Kaess, Felix; Kirste, Ronny; Mita, Seiji; Collazo, Ramon; Sitar, Zlatko

2017-12-01

A theoretical framework that provides a quantitative relationship between point defect formation energies and growth process parameters is presented. It enables systematic point defect reduction by chemical potential control in metalorganic chemical vapor deposition (MOCVD) of III-nitrides. Experimental corroboration is provided by a case study of C incorporation in GaN. The theoretical model is shown to be successful in providing quantitative predictions of CN defect incorporation in GaN as a function of growth parameters and provides valuable insights into boundary phases and other impurity chemical reactions. The metal supersaturation is found to be the primary factor in determining the chemical potential of III/N and consequently incorporation or formation of point defects which involves exchange of III or N atoms with the reservoir. The framework is general and may be extended to other defect systems in (Al)GaN. The utility of equilibrium formalism typically employed in density functional theory in predicting defect incorporation in non-equilibrium and high temperature MOCVD growth is confirmed. Furthermore, the proposed theoretical framework may be used to determine optimal growth conditions to achieve minimum compensation within any given constraints such as growth rate, crystal quality, and other practical system limitations.

Repulsive atomic gas in a harmonic trap on the border of itinerant ferromagnetism.

PubMed

Conduit, G J; Simons, B D

2009-11-13

Alongside superfluidity, itinerant (Stoner) ferromagnetism remains one of the most well-characterized phases of correlated Fermi systems. A recent experiment has reported the first evidence for novel phase behavior on the repulsive side of the Feshbach resonance in a two-component ultracold Fermi gas. By adapting recent theoretical studies to the atomic trap geometry, we show that an adiabatic ferromagnetic transition would take place at a weaker interaction strength than is observed in experiment. This discrepancy motivates a simple nonequilibrium theory that takes account of the dynamics of magnetic defects and three-body losses. The formalism developed displays good quantitative agreement with experiment.

Quenched-in defects in flashlamp-annealed silicon

NASA Technical Reports Server (NTRS)

Borenstein, J. T.; Jones, J. T.; Corbett, J. W.; Oehrlein, G. S.; Kleinhenz, R. L.

1986-01-01

Deep levels introduced in boron-doped silicon by heat-pulse annealing with a tungsten-halogen flashlamp are investigated using deep-level transient spectroscopy. Two majority-carrier trapping levels in the band gap, at Ev + 0.32 eV and at Ev + 0.45 eV, are observed. These results are compared to those obtained by furnace-quenching and laser-annealing studies. Both the position in the gap and the annealing kinetics of the hole trap at Ev + 0.45 eV suggest that this center is due to an interstitial iron impurity in the lattice. The deep levels are not consistently observed in all flashlamp-annealed Si crystals utilized.

Observation of the Amorphous-to-Crystalline Surface Transition in Al-AlxOy Using Slow Positrons

NASA Astrophysics Data System (ADS)

Lynn, K. G.

1980-05-01

The amorphous-to-crystalline surface transition of AlxOy on the Al(111) surface is observed between 650 and 800 K with different O2 exposures by measuring the positronium (Ps) fraction produced by e+ impinging on the surface. The data are interpreted in terms of vacancy-type defects in the film or at the metal-metal-oxide interface which as trapping sites for e+ or Ps. As the ordering process proceeds to completion the trapping centers anneal out and the Ps fraction increases, showing an irreversible transition. This technique provides a new experimental method to study interfaces.

Large Area and Depth-Profiling Dislocation Imaging and Strain Analysis in Si/SiGe/Si Heterostructures

DTIC Science & Technology

2014-01-01

of the defect trapping state ( Higgs & Kittler, 2441994), the temperature dependence of c is determined by the 245temperature dependence of lifetime...Lett 65(22), 2804–2806. 397KITTLER, M., ULHAQBOUILLET, C. & HIGGS , V. (1995). Influence of 398copper contamination on recombination activity of misfit

Non-Volatile High Speed & Low Power Charge Trapping Devices

NASA Astrophysics Data System (ADS)

Kim, Moon Kyung; Tiwari, Sandip

2007-06-01

We report the operational characteristics of ultra-small-scaled SONOS (below 50 nm gate width and length) and SiO2/SiO2 structural devices with 0.5 um gate width and length where trapping occurs in a very narrow region. The experimental work summarizes the memory characteristics of retention time, endurance cycles, and speed in SONOS and SiO2/SiO2 structures. Silicon nitride has many defects to hold electrons as charge storage media in SONOS memory. Defects are also incorporated during growth and deposition in device processing. Our experiments show that the interface between two oxides, one grown and one deposited, provides a remarkable media for electron storage with a smaller gate stack and thus lower operating voltage. The exponential dependence of the time on the voltage is reflected in the characteristic energy. It is ˜0.44 eV for the write process and ˜0.47 eV for the erase process in SiO2/SiO2 structural device which is somewhat more efficient than those of SONOS structure memory.

The Neutrophil’s Choice: Phagocytose vs Make Neutrophil Extracellular Traps

PubMed Central

Manfredi, Angelo A.; Ramirez, Giuseppe A.; Rovere-Querini, Patrizia; Maugeri, Norma

2018-01-01

Neutrophils recognize particulate substrates of microbial or endogenous origin and react by sequestering the cargo via phagocytosis or by releasing neutrophil extracellular traps (NETs) outside the cell, thus modifying and alerting the environment and bystander leukocytes. The signals that determine the choice between phagocytosis and the generation of NETs are still poorly characterized. Neutrophils that had phagocytosed bulky particulate substrates, such as apoptotic cells and activated platelets, appear to be “poised” in an unresponsive state. Environmental conditions, the metabolic, adhesive and activation state of the phagocyte, and the size of and signals associated with the tethered phagocytic cargo influence the choice of the neutrophils, prompting either phagocytic clearance or the generation of NETs. The choice is dichotomic and apparently irreversible. Defects in phagocytosis may foster the intravascular generation of NETs, thus promoting vascular inflammation and morbidities associated with diseases characterized by defective phagocytic clearance, such as systemic lupus erythematosus. There is a strong potential for novel treatments based on new knowledge of the events determining the inflammatory and pro-thrombotic function of inflammatory leukocytes. PMID:29515586

All-optical coherent population trapping with defect spin ensembles in silicon carbide.

PubMed

Zwier, Olger V; O'Shea, Danny; Onur, Alexander R; van der Wal, Caspar H

2015-06-05

Divacancy defects in silicon carbide have long-lived electronic spin states and sharp optical transitions. Because of the various polytypes of SiC, hundreds of unique divacancies exist, many with spin properties comparable to the nitrogen-vacancy center in diamond. If ensembles of such spins can be all-optically manipulated, they make compelling candidate systems for quantum-enhanced memory, communication, and sensing applications. We report here direct all-optical addressing of basal plane-oriented divacancy spins in 4H-SiC. By means of magneto-spectroscopy, we fully identify the spin triplet structure of both the ground and the excited state, and use this for tuning of transition dipole moments between particular spin levels. We also identify a role for relaxation via intersystem crossing. Building on these results, we demonstrate coherent population trapping -a key effect for quantum state transfer between spins and photons- for divacancy sub-ensembles along particular crystal axes. These results, combined with the flexibility of SiC polytypes and device processing, put SiC at the forefront of quantum information science in the solid state.

Thermodynamic stability of boron: the role of defects and zero point motion.

PubMed

van Setten, Michiel J; Uijttewaal, Matthé A; de Wijs, Gilles A; de Groot, Robert A

2007-03-07

Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and theoreticians. Even the ground state of this element is still under discussion. For over 30 years, scientists have attempted to determine the relative stability of alpha- and beta-rhombohedral boron. We use density functional calculations in the generalized gradient approximation to study a broad range of possible beta-rhombohedral structures containing interstitial atoms and partially occupied sites within a 105 atoms framework. The two most stable structures are practically degenerate in energy and semiconducting. One contains the experimental 320 atoms in the hexagonal unit cell, and the other contains 106 atoms in the triclinic unit cell. When populated with the experimental 320 electrons, the 106 atom structure exhibits a band gap of 1.4 eV and an in-gap hole trap at 0.35 eV above the valence band, consistent with known experiments. The total energy of these two structures is 23 meV/B lower than the original 105 atom framework, but it is still 1 meV/B above the alpha phase. Adding zero point energies finally makes the beta phase the ground state of elemental boron by 3 meV/B. At finite temperatures, the difference becomes even larger.

A pancreatic venular defect in the BB/Wor rat.

PubMed Central

Majno, G.; Joris, I.; Handler, E. S.; Desemone, J.; Mordes, J. P.; Rossini, A. A.

1987-01-01

BB rats develop spontaneous autoimmune diabetes mellitus characterized morphologically by insulitis, an inflammatory lymphocytic infiltration of the islets of Langerhans. To investigate the role of the vascular endothelium of the pancreas in this destructive process, the authors injected diabetes-prone (DP) and diabetes-resistant (DR) BB/Wor rats as well as other nondiabetic strains of rats with Monastral blue B, a colloidal pigment that identifies leaky microvasculature. They found evidence of a venular defect limited to the pancreas that is specific to the BB rat. Light- and electron-microscopic evidence suggests that this defect is due to a population of trapped (marginating) intravascular monocytes, which may be activated by the colloidal pigment and release vasoactive mediators. Images Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 PMID:3618725

Optical Probe of the Density of Defect States in Organic Thin-Film Transistors

NASA Astrophysics Data System (ADS)

Breban, Mihaela; Romero, Danilo; Ballarotto, Vincent; Williams, Ellen

2006-03-01

We investigate the role of defect states associated with different gate dielectric materials on charge transport in organic thin film transistors. Using a modulation technique we measure the magnitude and the phase of the photocurrent^1 in pentacene thin film transistors as a function of the modulation frequency. The photocurrent generation process is modeled as exciton dissociation due to interaction with localized traps. A time domain analyses of this multi-step process allows us to extract the density of defect states. We use this technique to compare the physical mechanism underlying performances of pentacene devices fabricated with different dielectric materials. *Supported by the Laboratory for Physical Science ^1 M. Breban, et al. ``Photocurrent probe of field-dependent mobility in organic thin-film transistors'' Appl. Phys. Letts. 87, 203503 (2005)

A computational framework for automation of point defect calculations

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

Goyal, Anuj; Gorai, Prashun; Peng, Haowei

We have developed a complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory. Furthermore, the framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. This package provides the capability to compute widely-accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3 as test examples, we demonstrate the package capabilities and validate the methodology.

A computational framework for automation of point defect calculations

DOE PAGES

Goyal, Anuj; Gorai, Prashun; Peng, Haowei; ...

2017-01-13

We have developed a complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory. Furthermore, the framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. This package provides the capability to compute widely-accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3 as test examples, we demonstrate the package capabilities and validate the methodology.

Defect interactions in GaAs single crystals

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Lagowski, J.

1984-01-01

The two-sublattice structural configuration of GaAs and deviations from stoichiometry render the generation and interaction of electrically active point defects (and point defect complexes) critically important for device applications and very complex. Of the defect-induced energy levels, those lying deep into the energy band are very effective lifetime ""killers". The level 0.82 eV below the condition band, commonly referred to as EL2, is a major deep level, particularly in melt-grown GaAs. This level is associated with an antisite defect complex (AsGa - VAS). Possible mechanisms of its formation and its annihilation were further developed.

Histomorphometric Study of New Bone Formation Comparing Defect Healing with Three Bone Grafting Materials: The Effect of Osteoporosis on Graft Consolidation.

PubMed

Zhang, Qiao; Jing, Dai; Zhang, Yufeng; Miron, Richard J

Bone grafting materials are frequently utilized in oral surgery and periodontology to fill bone defects and augment lost or missing bone. The purpose of this study was to compare new bone formation in bone defects created in both normal and osteoporotic animals loaded with three types of bone grafts from different origins. Forty-eight female Wistar rats were equally divided into control normal and ovariectomized animals. Bilateral 2.5-mm femur defects were created and filled with an equal weight of (1) natural bone mineral (NBM, BioOss) of bovine origin, (2) demineralized freeze-dried bone allograft (DFDBA, LifeNet), or (3) biphasic calcium phosphate (BCP, Vivoss). Following 3 and 6 weeks of healing, hematoxylin and eosin and TRAP staining was performed to determine new bone formation, material degradation, and osteoclast activity. All bone substitutes demonstrated osteoconductive potential at 3 and 6 weeks with higher osteoclast numbers observed in all ovariectomized animals. NBM displayed continual new bone formation with little to no sign of particle degradation, even in osteoporotic animals. DFDBA particles showed similar levels of new bone formation but rapid particle degradation rates with lower levels of mineralized tissue. BCP bone grafts demonstrated significantly higher new bone formation when compared with both NBM and DFDBA particles; however, the material was associated with higher osteoclast activity and particle degradation. Interestingly, in osteoporotic animals, BCP displayed synergistically and markedly more rapid rates of particle degradation. Recent modifications to synthetically fabricated materials were shown to be equally or more osteopromotive than NBM and DFDBA. However, the current BCP utilized demonstrated much faster resorption properties in osteoporotic animals associated with a decrease in total bone volume when compared with the slowly/nonresorbing NBM. The results from this study point to the clinical relevance of minimizing fast-resorbing bone grafting materials in osteoporotic phenotypes due to the higher osteoclastic activity and greater material resorption.

Symmetry dependence of holograms for optical trapping

NASA Astrophysics Data System (ADS)

Curtis, Jennifer E.; Schmitz, Christian H. J.; Spatz, Joachim P.

2005-08-01

No iterative algorithm is necessary to calculate holograms for most holographic optical trapping patterns. Instead, holograms may be produced by a simple extension of the prisms-and-lenses method. This formulaic approach yields the same diffraction efficiency as iterative algorithms for any asymmetric or symmetric but nonperiodic pattern of points while requiring less calculation time. A slight spatial disordering of periodic patterns significantly reduces intensity variations between the different traps without extra calculation costs. Eliminating laborious hologram calculations should greatly facilitate interactive holographic trapping.

Steady distribution structure of point defects near crystal-melt interface under pulling stop of CZ Si crystal

NASA Astrophysics Data System (ADS)

Abe, T.; Takahashi, T.; Shirai, K.

2017-02-01

In order to reveal a steady distribution structure of point defects of no growing Si on the solid-liquid interface, the crystals were grown at a high pulling rate, which Vs becomes predominant, and the pulling was suddenly stopped. After restoring the variations of the crystal by the pulling-stop, the crystals were then left in prolonged contact with the melt. Finally, the crystals were detached and rapidly cooled to freeze point defects and then a distribution of the point defects of the as-grown crystals was observed. As a result, a dislocation loop (DL) region, which is formed by the aggregation of interstitials (Is), was formed over the solid-liquid interface and was surrounded with a Vs-and-Is-free recombination region (Rc-region), although the entire crystals had been Vs rich in the beginning. It was also revealed that the crystal on the solid-liquid interface after the prolonged contact with the melt can partially have a Rc-region to be directly in contact with the melt, unlike a defect distribution of a solid-liquid interface that has been growing. This experimental result contradicts a hypothesis of Voronkov's diffusion model, which always assumes the equilibrium concentrations of Vs and Is as the boundary condition for distribution of point defects on the growth interface. The results were disscussed from a qualitative point of view of temperature distribution and thermal stress by the pulling-stop.

Incoherent vs. coherent behavior in the normal state of copper oxide superconductors

NASA Technical Reports Server (NTRS)

Tesanovic, Zlatko

1991-01-01

The self-consistent quantum fluctuations around the mean-field Hartree-Fock state of the Hubbard model provide a very good description of the ground state and low temperature properties of a 2-D itinerant antiferromagnet. Very good agreement with numerical calculations and experimental data is obtained by including the one- and two-loop spin wave corrections to various physical quantities. In particular, the destruction of the long-range order above the Neel temperature can be understood as a spontaneous generation of a length-scale epsilon(T), which should be identified as the spin correlation length. For finite doping, the question of the Hartree-Fock starting point becomes a more complex one since an extra hole tends to self-trap in antiferromagnetic background. Such quantum defects in an underlying antiferromagnetic state can be spin-bags or vortex-like structures and tend to suppress the long-range order. If motion of the holes occurs on a time-scale shorter than the one associated with the motion of these quantum defects of a spin background, one obtains several important empirical features of the normal state of CuO superconductors like linear T-dependence of resistivity, the cusp in the tunneling density of states, etc. As opposed to a familiar Fermi-liquid behavior, the phenomenology of the above system is dominated by a large incoherent piece of a single hole propagator, resulting in many unusual normal state properties.

Role of confinements on the melting of Wigner molecules in quantum dots

NASA Astrophysics Data System (ADS)

Bhattacharya, Dyuti; Filinov, Alexei V.; Ghosal, Amit; Bonitz, Michael

2016-03-01

We explore the stability of a Wigner molecule (WM) formed in confinements with different geometries emulating the role of disorder and analyze the melting (or crossover) of such a system. Building on a recent calculation [D. Bhattacharya, A. Ghosal, Eur. Phys. J. B 86, 499 (2013)] that discussed the effects of irregularities on the thermal crossover in classical systems, we expand our studies in the untested territory by including both the effects of quantum fluctuations and of disorder. Our results, using classical and quantum (path integral) Monte Carlo techniques, unfold complementary mechanisms that drive the quantum and thermal crossovers in a WM and show that the symmetry of the confinement plays no significant role in determining the quantum crossover scale n X . This is because the zero-point motion screens the boundary effects within short distances. The phase diagram as a function of thermal and quantum fluctuations determined from independent criteria is unique, and shows "melting" from the WM to both the classical and quantum "liquids". An intriguing signature of weakening liquidity with increasing temperature, T, is found in the extreme quantum regime. The crossover is associated with production of defects. However, these defects appear to play distinct roles in driving the quantum and thermal "melting". Our analyses carry serious implications for a variety of experiments on many-particle systems - semiconductor heterostructure quantum dots, trapped ions, nanoclusters, colloids and complex plasma.

Intrinsic and extrinsic pinning in NdFeAs(O,F): vortex trapping and lock-in by the layered structure

NASA Astrophysics Data System (ADS)

Tarantini, C.; Iida, K.; Hänisch, J.; Kurth, F.; Jaroszynski, J.; Sumiya, N.; Chihara, M.; Hatano, T.; Ikuta, H.; Schmidt, S.; Seidel, P.; Holzapfel, B.; Larbalestier, D. C.

2016-10-01

Fe-based superconductors (FBS) present a large variety of compounds whose properties are affected to different extents by their crystal structures. Amongst them, the REFeAs(O,F) (RE1111, RE being a rare-earth element) is the family with the highest critical temperature Tc but also with a large anisotropy and Josephson vortices as demonstrated in the flux-flow regime in Sm1111 (Tc ∼ 55 K). Here we focus on the pinning properties of the lower-Tc Nd1111 in the flux-creep regime. We demonstrate that for H//c critical current density Jc at high temperatures is dominated by point-defect pinning centres, whereas at low temperatures surface pinning by planar defects parallel to the c-axis and vortex shearing prevail. When the field approaches the ab-planes, two different regimes are observed at low temperatures as a consequence of the transition between 3D Abrikosov and 2D Josephson vortices: one is determined by the formation of a vortex-staircase structure and one by lock-in of vortices parallel to the layers. This is the first study on FBS showing this behaviour in the full temperature, field, and angular range and demonstrating that, despite the lower Tc and anisotropy of Nd1111 with respect to Sm1111, this compound is substantially affected by intrinsic pinning generating a strong ab-peak in Jc.

Quasiparticle and hybrid density functional methods in defect studies: An application to the nitrogen vacancy in GaN

NASA Astrophysics Data System (ADS)

Lewis, D. K.; Matsubara, M.; Bellotti, E.; Sharifzadeh, S.

2017-12-01

Defects in semiconductors can play a vital role in the performance of electronic devices, with native defects often dominating the electronic properties of the semiconductor. Understanding the relationship between structural defects and electronic function will be central to the design of new high-performance materials. In particular, it is necessary to quantitatively understand the energy and lifetime of electronic states associated with the defect. Here, we apply first-principles density functional theory (DFT) and many-body perturbation theory within the GW approximation to understand the nature and energy of the defect states associated with a charged nitrogen vacancy on the electronic properties of gallium nitride (GaN), as a model of a well-studied and important wide gap semiconductor grown with defects. We systematically investigate the sources of error associated with the GW approximation and the role of the underlying atomic structure on the predicted defect state energies. Additionally, analysis of the computed electronic density of states (DOS) reveals that there is one occupied defect state 0.2 eV below the valence band maximum and three unoccupied defect states at energy of 0.2-0.4 eV above the conduction band minimum, suggesting that this defect in the +1 charge state will not behave as a carrier trap. Furthermore, we compare the character and energy of the defect state obtained from GW and DFT using the HSE approximate density functional and find excellent agreement. This systematic study provides a more complete understanding of how to obtain quantitative defect energy states in bulk semiconductors.

Transport-reaction model for defect and carrier behavior within displacement cascades in gallium arsenide

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

Wampler, William R.; Myers, Samuel M.

2014-02-01

A model is presented for recombination of charge carriers at displacement damage in gallium arsenide, which includes clustering of the defects in atomic displacement cascades produced by neutron or ion irradiation. The carrier recombination model is based on an atomistic description of capture and emission of carriers by the defects with time evolution resulting from the migration and reaction of the defects. The physics and equations on which the model is based are presented, along with details of the numerical methods used for their solution. The model uses a continuum description of diffusion, field-drift and reaction of carriers and defectsmore » within a representative spherically symmetric cluster. The initial radial defect profiles within the cluster were chosen through pair-correlation-function analysis of the spatial distribution of defects obtained from the binary-collision code MARLOWE, using recoil energies for fission neutrons. Charging of the defects can produce high electric fields within the cluster which may influence transport and reaction of carriers and defects, and which may enhance carrier recombination through band-to-trap tunneling. Properties of the defects are discussed and values for their parameters are given, many of which were obtained from density functional theory. The model provides a basis for predicting the transient response of III-V heterojunction bipolar transistors to pulsed neutron irradiation.« less

Oxygen vacancy defect engineering using atomic layer deposited HfAlOx in multi-layered gate stack

NASA Astrophysics Data System (ADS)

Bhuyian, M. N.; Sengupta, R.; Vurikiti, P.; Misra, D.

2016-05-01

This work evaluates the defects in high quality atomic layer deposited (ALD) HfAlOx with extremely low Al (<3% Al/(Al + Hf)) incorporation in the Hf based high-k dielectrics. The defect activation energy estimated by the high temperature current voltage measurement shows that the charged oxygen vacancies, V+/V2+, are the primary source of defects in these dielectrics. When Al is added in HfO2, the V+ type defects with a defect activation energy of Ea ˜ 0.2 eV modify to V2+ type to Ea ˜ 0.1 eV with reference to the Si conduction band. When devices were stressed in the gate injection mode for 1000 s, more V+ type defects are generated and Ea reverts back to ˜0.2 eV. Since Al has a less number of valence electrons than do Hf, the change in the co-ordination number due to Al incorporation seems to contribute to the defect level modifications. Additionally, the stress induced leakage current behavior observed at 20 °C and at 125 °C demonstrates that the addition of Al in HfO2 contributed to suppressed trap generation process. This further supports the defect engineering model as reduced flat-band voltage shifts were observed at 20 °C and at 125 °C.

Edge dislocations as sinks for sub-nanometric radiation induced defects in α-iron

NASA Astrophysics Data System (ADS)

Anento, N.; Malerba, L.; Serra, A.

2018-01-01

The role of edge dislocations as sinks for small radiation induced defects in bcc-Fe is investigated by means of atomistic computer simulation. In this work we investigate by Molecular Statics (T = 0K) the interaction between an immobile dislocation line and defect clusters of small sizes invisible experimentally. The study highlights in particular the anisotropy of the interaction and distinguishes between absorbed and trapped defects. When the considered defect intersects the dislocation glide plane and the distance from the dislocation line to the defect is on the range between 2 nm and 4 nm, either total or partial absorption of the cluster takes place leading to the formation of jogs. Residual defects produced during partial absorption pin the dislocation. By the calculation of stress-strain curves we have assessed the strength of those residues as obstacles for the motion of the dislocation, which is reflected on the unpinning stresses and the binding energies obtained. When the defect is outside this range, but on planes close to the dislocation glide plane, instead of absorption we have observed a capture process. Finally, with a view to introducing explicitly in kinetic Monte Carlo models a sink with the shape of a dislocation line, we have summarized our findings on a table presenting the most relevant parameters, which define the interaction of the dislocation with the defects considered.

Establishment of a Mouse Model with Misregulated Chromosome Condensation due to Defective Mcph1 Function

PubMed Central

Walther, Diego J.; Dopatka, Monika; Dutrannoy, Véronique; Busche, Andreas; Meyer, Franziska; Nowak, Stefanie; Nowak, Jean; Zabel, Claus; Klose, Joachim; Esquitino, Veronica; Garshasbi, Masoud; Kuss, Andreas W.; Ropers, Hans-Hilger; Mueller, Susanne; Poehlmann, Charlotte; Gavvovidis, Ioannis; Schindler, Detlev; Sperling, Karl; Neitzel, Heidemarie

2010-01-01

Mutations in the human gene MCPH1 cause primary microcephaly associated with a unique cellular phenotype with premature chromosome condensation (PCC) in early G2 phase and delayed decondensation post-mitosis (PCC syndrome). The gene encodes the BRCT-domain containing protein microcephalin/BRIT1. Apart from its role in the regulation of chromosome condensation, the protein is involved in the cellular response to DNA damage. We report here on the first mouse model of impaired Mcph1-function. The model was established based on an embryonic stem cell line from BayGenomics (RR0608) containing a gene trap in intron 12 of the Mcph1 gene deleting the C-terminal BRCT-domain of the protein. Although residual wild type allele can be detected by quantitative real-time PCR cell cultures generated from mouse tissues bearing the homozygous gene trap mutation display the cellular phenotype of misregulated chromosome condensation that is characteristic for the human disorder, confirming defective Mcph1 function due to the gene trap mutation. While surprisingly the DNA damage response (formation of repair foci, chromosomal breakage, and G2/M checkpoint function after irradiation) appears to be largely normal in cell cultures derived from Mcph1gt/gt mice, the overall survival rates of the Mcph1gt/gt animals are significantly reduced compared to wild type and heterozygous mice. However, we could not detect clear signs of premature malignant disease development due to the perturbed Mcph1 function. Moreover, the animals show no obvious physical phenotype and no reduced fertility. Body and brain size are within the range of wild type controls. Gene expression on RNA and protein level did not reveal any specific pattern of differentially regulated genes. To the best of our knowledge this represents the first mammalian transgenic model displaying a defect in mitotic chromosome condensation and is also the first mouse model for impaired Mcph1-function. PMID:20169082

Establishment of a mouse model with misregulated chromosome condensation due to defective Mcph1 function.

PubMed

Trimborn, Marc; Ghani, Mahdi; Walther, Diego J; Dopatka, Monika; Dutrannoy, Véronique; Busche, Andreas; Meyer, Franziska; Nowak, Stefanie; Nowak, Jean; Zabel, Claus; Klose, Joachim; Esquitino, Veronica; Garshasbi, Masoud; Kuss, Andreas W; Ropers, Hans-Hilger; Mueller, Susanne; Poehlmann, Charlotte; Gavvovidis, Ioannis; Schindler, Detlev; Sperling, Karl; Neitzel, Heidemarie

2010-02-16

Mutations in the human gene MCPH1 cause primary microcephaly associated with a unique cellular phenotype with premature chromosome condensation (PCC) in early G2 phase and delayed decondensation post-mitosis (PCC syndrome). The gene encodes the BRCT-domain containing protein microcephalin/BRIT1. Apart from its role in the regulation of chromosome condensation, the protein is involved in the cellular response to DNA damage. We report here on the first mouse model of impaired Mcph1-function. The model was established based on an embryonic stem cell line from BayGenomics (RR0608) containing a gene trap in intron 12 of the Mcph1 gene deleting the C-terminal BRCT-domain of the protein. Although residual wild type allele can be detected by quantitative real-time PCR cell cultures generated from mouse tissues bearing the homozygous gene trap mutation display the cellular phenotype of misregulated chromosome condensation that is characteristic for the human disorder, confirming defective Mcph1 function due to the gene trap mutation. While surprisingly the DNA damage response (formation of repair foci, chromosomal breakage, and G2/M checkpoint function after irradiation) appears to be largely normal in cell cultures derived from Mcph1(gt/gt) mice, the overall survival rates of the Mcph1(gt/gt) animals are significantly reduced compared to wild type and heterozygous mice. However, we could not detect clear signs of premature malignant disease development due to the perturbed Mcph1 function. Moreover, the animals show no obvious physical phenotype and no reduced fertility. Body and brain size are within the range of wild type controls. Gene expression on RNA and protein level did not reveal any specific pattern of differentially regulated genes. To the best of our knowledge this represents the first mammalian transgenic model displaying a defect in mitotic chromosome condensation and is also the first mouse model for impaired Mcph1-function.

Intrinsic point defects in off-stoichiometric Cu2ZnSnSe4: A neutron diffraction study

NASA Astrophysics Data System (ADS)

Gurieva, Galina; Valle Rios, Laura Elisa; Franz, Alexandra; Whitfield, Pamela; Schorr, Susan

2018-04-01

This work is an experimental study of intrinsic point defects in off-stoichiometric kesterite type CZTSe by means of neutron powder diffraction. We revealed the existence of copper vacancies (VCu), various cation anti site defects (CuZn, ZnCu, ZnSn, SnZn, and CuZn), as well as interstitials (Cui, Zni) in a wide range of off-stoichiometric polycrystalline powder samples synthesized by the solid state reaction. The results show that the point defects present in off-stoichiometric CZTSe agree with the off-stoichiometry type model, assuming certain cation substitutions accounting for charge balance. In addition to the known off-stoichiometry types A-H, new types (I-L) have been introduced. For the very first time, a correlation between the chemical composition of the CZTSe kesterite type phase and the occurring intrinsic point defects is presented. In addition to the off-stoichiometry type specific defects, the Cu/Zn disorder is always present in the CZTSe phase. In Cu-poor/Zn-rich CZTSe, a composition considered as the one that delivers the best photovoltaic performance, mainly copper vacancies, ZnCu and ZnSn anti sites are present. Also, this compositional region shows the lowest degree of Cu/Zn disorder.

Simulation of Spatial and Temporal Radiation Exposures for ISS in the South Atlantic Anomaly

NASA Technical Reports Server (NTRS)

Anderson, Brooke M.; Nealy, John E.; Luetke, Nathan J.; Sandridge, Christopher A.; Qualls, Garry D.

2004-01-01

The International Space Station (ISS) living areas receive the preponderance of ionizing radiation exposure from Galactic Cosmic Rays (GCR) and geomagnetically trapped protons. Practically all trapped proton exposure occurs when the ISS passes through the South Atlantic Anomaly (SAA) region. The fact that this region is in proximity to a trapping mirror point indicates that the proton flux is highly directional. The inherent shielding provided by the ISS structure is represented by a recently-developed CAD model of the current 11-A configuration. Using modeled environment and configuration, trapped proton exposures have been analytically estimated at selected target points within the Service and Lab Modules. The results indicate that the directional flux may lead to substantially different exposure characteristics than the more common analyses that assume an isotropic environment. Additionally, predictive capability of the computational procedure should allow sensitive validation with corresponding on-board directional dosimeters.

Vertical Root Fracture initiation in curved roots after root canal preparation: A dentinal micro-crack analysis with LED transillumination

PubMed Central

Martín-Biedma, Benjamín; Varela-Patiño, Purificación; Ruíz-Piñón, Manuel; Castelo-Baz, Pablo

2017-01-01

Background One of the causative factors of root defects is the increased friction produced by rotary instrumentation. A high canal curvature may increase stress, making the tooth more susceptible to dentinal cracks. The purpose of this study was to evaluate dentinal micro-crack formation with the ProTaper NEXT and ProTaper Universal systems using LED transillumination, and to analyze the micro-crack generated at the point of maximum canal curvature. Material and Methods 60 human mandibular premolars with curvatures between 30–49° and radii between 2–4 mm were used. The root canals were instrumented using the Protaper Universal® and Protaper NEXT® systems, with the aid of the Proglider® system. The obtained samples were sectioned transversely before subsequent analysis with LED transillumination at 2 mm and 8 mm from the apex and at the point of maximum canal curvature. Defects were scored: 0 for no defects; and 1 for micro-cracks. Results Root defects were not observed in the control group. The ProTaper NEXT system caused fewer defects (16.7%) than the ProTaper Universal system (40%) (P<0.05). The ProTaper Universal system caused significantly more micro-cracks at the point of maximum canal curvature than the ProTaper NEXT system (P<0.05). Conclusions Rotary instrumentation systems often generate root defects, but the ProTaper NEXT system generated fewer dentinal defects than the ProTaper Universal system. A higher prevalence of defects was found at the point of maximum curvature in the ProTaper Universal group. Key words:Curved root, Micro-crack, point of maximum canal curvature, ProTaper NEXT, ProTaper Universal, Vertical root fracture. PMID:29167712

Defect states of complexes involving a vacancy on the boron site in boronitrene

NASA Astrophysics Data System (ADS)

Ngwenya, T. B.; Ukpong, A. M.; Chetty, N.

2011-12-01

First principles calculations have been performed to investigate the ground state properties of freestanding monolayer hexagonal boronitrene (h-BN). We have considered monolayers that contain native point defects and their complexes, which form when the point defects bind with the boron vacancy on the nearest-neighbor position. The changes in the electronic structure are analyzed to show the extent of localization of the defect-induced midgap states. The variations in formation energies suggest that defective h-BN monolayers that contain carbon substitutional impurities are the most stable structures, irrespective of the changes in growth conditions. The high energies of formation of the boron vacancy complexes suggest that they are less stable, and their creation by ion bombardment would require high-energy ions compared to point defects. Using the relative positions of the derived midgap levels for the double vacancy complex, it is shown that the quasi-donor-acceptor pair interpretation of optical transitions is consistent with stimulated transitions between electron and hole states in boronitrene.

Finite-size versus interface-proximity effects in thin-film epitaxial SrTiO3

NASA Astrophysics Data System (ADS)

De Souza, R. A.; Gunkel, F.; Hoffmann-Eifert, S.; Dittmann, R.

2014-06-01

The equilibrium electrical conductivity of epitaxial SrTiO3 (STO) thin films was investigated as a function of temperature, 950≤ T/K ≤1100, and oxygen partial pressure, 10-23≤ pO2/bar ≤1. Compared with single-crystal STO, nanoscale thin-film STO exhibited with decreasing film thickness an increasingly enhanced electronic conductivity under highly reducing conditions, with a corresponding decrease in the activation enthalpy of conduction. This implies substantial modification of STO's point-defect thermodynamics for nanoscale film thicknesses. We argue, however, against such a finite-size effect and for an interface-proximity effect. Indeed, assuming trapping of oxygen vacancies at the STO surface and concomitant depletion of oxygen vacancies—and accumulation of electrons—in an equilibrium surface space-charge layer, we are able to predict quantitatively the conductivity as a function of temperature, oxygen partial pressure, and film thickness. Particularly complex behavior is predicted for ultrathin films that are consumed entirely by space charge.

The let-7 microRNA target gene, Mlin41/Trim71 is required for mouse embryonic survival and neural tube closure

PubMed Central

Schulman, Betsy R. Maller; Liang, Xianping; Stahlhut, Carlos; DelConte, Casey; Stefani, Giovanni; Slack, Frank J.

2010-01-01

In the nematode Caenorhabditis elegans, the let-7 microRNA (miRNA) controls the timing of key developmental events and terminal differentiation in part by directly regulating lin-41. C. elegans lin-41 mutants display precocious cell cycle exit and terminal differentiation of epidermal skin cells. lin-41 orthologues are found in more complex organisms including both mice and humans, but their roles are not known. We generated Mlin41 mouse mutants to ascertain a functional role for Mlin41. Strong loss of function Mlin41 gene-trap mutants demonstrated a striking neural tube closure defect during development, and embryonic lethality. Like C. elegans lin-41, Mlin41 also appears to be regulated by the let-7 and mir-125 miRNAs. Since Mlin41 is required for neural tube closure and survival it points to human lin-41 (HLIN41/TRIM71) as a potential human development and disease gene. PMID:19098426

Accelerated defect visualization of microelectronic systems using binary search with fixed pitch-catch distance laser ultrasonic scanning

NASA Astrophysics Data System (ADS)

Park, Byeongjin; Sohn, Hoon

2018-04-01

The practicality of laser ultrasonic scanning is limited because scanning at a high spatial resolution demands a prohibitively long scanning time. Inspired by binary search, an accelerated defect visualization technique is developed to visualize defect with a reduced scanning time. The pitch-catch distance between the excitation point and the sensing point is also fixed during scanning to maintain a high signal-to-noise ratio of measured ultrasonic responses. The approximate defect boundary is identified by examining the interactions between ultrasonic waves and defect observed at the scanning points that are sparsely selected by a binary search algorithm. Here, a time-domain laser ultrasonic response is transformed into a spatial ultrasonic domain response using a basis pursuit approach so that the interactions between ultrasonic waves and defect can be better identified in the spatial ultrasonic domain. Then, the area inside the identified defect boundary is visualized as defect. The performance of the proposed defect visualization technique is validated through an experiment on a semiconductor chip. The proposed defect visualization technique accelerates the defect visualization process in three aspects: (1) The number of measurements that is necessary for defect visualization is dramatically reduced by a binary search algorithm; (2) The number of averaging that is necessary to achieve a high signal-to-noise ratio is reduced by maintaining the wave propagation distance short; and (3) With the proposed technique, defect can be identified with a lower spatial resolution than the spatial resolution required by full-field wave propagation imaging.

Osteogenic properties of PBLG-g-HA/PLLA nanocomposites.

PubMed

Liao, Lan; Yang, Shuang; Miron, Richard J; Wei, Junchao; Zhang, Yufeng; Zhang, Meng

2014-01-01

New development of biomaterial scaffolds remains a prominent issue for the regeneration of lost or fractured bone. Of these scaffolds, a number of bioactive polymers have been synthesized and fabricated for diverse biological roles. Although recent evidence has demonstrated that composite scaffolds such as HA/PLLA have improved properties when compared to either HA or PLLA alone, recent investigations have demonstrated that the phase compatibility between HA and PLLA layers is weak preventing optimal enhancement of the mechanical properties and making the composites prone to breakdown. In the present study, poly (γ-benzyl-L-glutamate) modified hydroxyapatite/(poly (L-lactic acid)) (PBLG-g-HA/PLLA) composite scaffolds were fabricated with improved phase compatibility and tested for their osteogenic properties in 18 Wistar female rats by analyzing new bone formation in 3 mm bilateral femur defects in vivo. At time points, 2, 4 and 8 weeks post surgery, bone formation was evaluated by µ-CT and histological analysis by comparing 4 treatment groups; 1) blank defect, 2) PLLA, 3) HA/PLLA and 4) PBLG-g-HA/PLLA scaffolds. The in vivo analysis demonstrated that new bone formation was much more prominent in HA/PLLA and PBLG-g-HA/PLLA groups as depicted by µ-CT, H&E staining and immunohistochemistry for collagen I. TRAP staining was also utilized to determine the influence of osteoclast cell number and staining intensity to the various scaffolds. No significant differences in either staining intensity or osteoclast numbers between all treatment modalities was observed, however blank defects did contain a higher number of osteoclast-like cells. The results from the present study illustrate the potential of PBLG-g-HA/PLLA scaffolds for bone tissue engineering applications by demonstrating favorable osteogenic properties.

Physicochemical characterization of point defects in fluorine doped tin oxide films

NASA Astrophysics Data System (ADS)

Akkad, Fikry El; Joseph, Sudeep

2012-07-01

The physical and chemical properties of spray deposited FTO films are studied using FESEM, x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS), electrical and optical measurements. The results of XRD measurements showed that the films are polycrystalline (grain size 20-50 nm) with Rutile structure and mixed preferred orientation along the (200) and (110) planes. An angular shift of the XRD peaks after F-doping is observed and interpreted as being due to the formation of substitutional fluorine defects (FO) in presence of high concentration of oxygen vacancies (VO) that are electrically neutral. The electrical neutrality of oxygen vacancies is supported by the observation that the electron concentration n is two orders of magnitude lower than the VO concentration calculated from chemical analyses using XPS measurements. It is shown that an agreement between XPS, XRD, and Hall effect results is possible provided that the degree of deviation from stoichiometry is calculated with the assumption that the major part of the bulk carbon content is involved in O-C bonds. High temperature thermal annealing is found to cause an increase in the FO concentration and a decrease in both n and VO concentrations with the increase of the annealing temperature. These results could be interpreted in terms of a high temperature chemical exchange reaction between the SnO2 matrix and a precipitated fluoride phase. In this reaction, fluorine is released to the matrix and Sn is trapped by the fluoride phase, thus creating substitutional fluorine FO and tin vacancy VSn defects. The enthalpy of this reaction is determined to be approximately 2.4 eV while the energy of formation of a VSn through the migration of SnSn host atom to the fluoride phase is approximately 0.45 eV.

Dextrocardia

MedlinePlus

Cyanotic heart defect - dextrocardia; Congenital heart defect - dextrocardia; Birth defect - dextrocardia ... During the early weeks of pregnancy, the baby’s heart develops. Sometimes, it turns so that it points ...

Characterization of oxygen defects in diamond by means of density functional theory calculations

NASA Astrophysics Data System (ADS)

Thiering, Gergő; Gali, Adam

2016-09-01

Point defects in diamond are of high interest as candidates for realizing solid state quantum bits, bioimaging agents, or ultrasensitive electric or magnetic field sensors. Various artificial diamond synthesis methods should introduce oxygen contamination in diamond, however, the incorporation of oxygen into diamond crystal and the nature of oxygen-related point defects are largely unknown. Oxygen may be potentially interesting as a source of quantum bits or it may interact with other point defects which are well established solid state qubits. Here we employ plane-wave supercell calculations within density functional theory, in order to characterize the electronic and magneto-optical properties of various oxygen-related defects. Besides the trivial single interstitial and substitutional oxygen defects we also consider their complexes with vacancies and hydrogen atoms. We find that oxygen defects are mostly electrically active and introduce highly correlated orbitals that pose a challenge for density functional theory modeling. Nevertheless, we are able to identify the fingerprints of substitutional oxygen defect, the oxygen-vacancy and oxygen-vacancy-hydrogen complexes in the electron paramagnetic resonance spectrum. We demonstrate that first principles calculations can predict the motional averaging of the electron paramagnetic resonance spectrum of defects that are subject to Jahn-Teller distortion. We show that the high-spin neutral oxygen-vacancy defect exhibits very fast nonradiative decay from its optical excited state that might hinder applying it as a qubit.

Charge collection in Si detectors irradiated in situ at superfluid helium temperature

NASA Astrophysics Data System (ADS)

Verbitskaya, Elena; Eremin, Vladimir; Zabrodskii, Andrei; Dehning, Bernd; Kurfürst, Christoph; Sapinski, Mariusz; Bartosik, Marcin R.; Egorov, Nicolai; Härkönen, Jaakko

2015-10-01

Silicon and diamond detectors operated in a superfluid helium bath are currently being considered for the upgrade of the LHC beam loss monitoring system. The detectors would be installed in immediate proximity of the superconducting coils of the triplet magnets. We present here the results of the in situ irradiation test for silicon detectors using 23 GeV protons while keeping the detectors at a temperature of 1.9 K. Red laser (630 nm) Transient Current Technique and DC current measurements were used to study the pulse response and collected charge for silicon detectors irradiated to a maximum radiation fluence of 1×1016 p/cm2. The dependence between collected charge and irradiation fluence was parameterized using the Hecht equation and assumption of a uniform electric field distribution. The collected charge was found to degrade with particle fluence for both bias polarities. We observed that the main factor responsible for this degradation was related to trapping of holes on the donor-type radiation-induced defects. In contrast to expectations, along with formation of donors, acceptor-type defects (electron traps) are introduced into the silicon bulk. This suggests that the current models describing charge collection in irradiated silicon detectors require an extension for taking into account trapping at low temperatures with a contribution of shallow levels. New in situ irradiation tests are needed and planned now to extend statistics of the results and gain a deeper insight into the physics of low temperature detector operation in harsh radiation environment.

Investigation of the Photocurrent in Hot-Wall-Epitaxy-Grown BaIn2S4 Layers

NASA Astrophysics Data System (ADS)

You, S. H.; Hong, K. J.; Jeong, T. S.; Youn, C. J.

2015-12-01

The photocurrent (PC) of hot-wall-epitaxy-grown BaIn2S4 layers was studied at different temperatures and for different photoresponse intensities. With increasing temperature, the position of the PC spectra tended to shift toward longer wavelength. These PC peaks corresponded to band-to-band transitions caused by intrinsic transitions from the valence band states to the conduction band states. Also, the bandgap variations were well matched by the equation E g( T) = E g(0) - 3.79 × 10-3 T 2/( T + 499), where E g(0) was estimated to be 3.0597 eV, 3.2301 eV, and 3.2606 eV for transitions corresponding to the valence band states Γ 4(z), Γ 5(x), and Γ 5(y), respectively. By use of the selection rule and results from the PC spectroscopy, the crystal field and the spin-orbit splitting were found to be 0.1703 and 0.0306 eV, respectively. Thus, the PC intensity gradually decreased with decreasing temperature. The decrease of PC intensity was caused by the presence of trapping centers associated with native defects in the BaIn2S4 layers. The trap level was found to be a shallow donor-level type of 20.4 meV, 1.6 meV below the conduction band. Consequently, these trap levels, which are related to native defects in BaIn2S4 layers, are believed to limit PC intensity with decreasing temperature.

Influence of displacement damage on deuterium and helium retention in austenitic and ferritic-martensitic alloys considered for ADS service

NASA Astrophysics Data System (ADS)

Voyevodin, V. N.; Karpov, S. A.; Kopanets, I. E.; Ruzhytskyi, V. V.; Tolstolutskaya, G. D.; Garner, F. A.

2016-01-01

The behavior of ion-implanted hydrogen (deuterium) and helium in austenitic 18Cr10NiTi stainless steel, EI-852 ferritic steel and ferritic/martensitic steel EP-450 and their interaction with displacement damage were investigated. Energetic argon irradiation was used to produce displacement damage and bubble formation to simulate nuclear power environments. The influence of damage morphology and the features of radiation-induced defects on deuterium and helium trapping in structural alloys was studied using ion implantation, the nuclear reaction D(3He,p)4He, thermal desorption spectrometry and transmission electron microscopy. It was found in the case of helium irradiation that various kinds of helium-radiation defect complexes are formed in the implanted layer that lead to a more complicated spectra of thermal desorption. Additional small changes in the helium spectra after irradiation with argon ions to a dose of ≤25 dpa show that the binding energy of helium with these traps is weakly dependent on the displacement damage. It was established that retention of deuterium in ferritic and ferritic-martensitic alloys is three times less than in austenitic steel at damage of ∼1 dpa. The retention of deuterium in steels is strongly enhanced by presence of radiation damages created by argon ion irradiation, with a shift in the hydrogen release temperature interval of 200 K to higher temperature. At elevated temperatures of irradiation the efficiency of deuterium trapping is reduced by two orders of magnitude.

Modeling of photocurrent and lag signals in amorphous selenium x-ray detectors

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

Siddiquee, Sinchita; Kabir, M. Z., E-mail: kabir@encs.concordia.ca

2015-07-15

A mathematical model for transient photocurrent and lag signal in x-ray imaging detectors has been developed by considering charge carrier trapping and detrapping in the energy distributed defect states under exponentially distributed carrier generation across the photoconductor. The model for the transient and steady-state carrier distributions and hence the photocurrent has been developed by solving the carrier continuity equation for both holes and electrons. The residual (commonly known as lag signal) current is modeled by solving the trapping rate equations considering the thermal release and trap filling effects. The model is applied to amorphous selenium (a-Se) detectors for both chestmore » radiography and mammography. The authors analyze the dependence of the residual current on various factors, such as x-ray exposure, applied electric field, and temperature. The electron trapping and detrapping mostly determines the residual current in a-Se detectors. The lag signal is more prominent in chest radiographic detector than in mammographic detectors. The model calculations are compared with the published experimental data and show a very good agreement.« less

EPR reversible signature of self-trapped holes in fictive temperature-treated silica glass

NASA Astrophysics Data System (ADS)

Lancry, Matthieu; Ollier, Nadège; Babu, B. H.; Herrero, Christian; Poumellec, Bertrand

2018-03-01

Post-mortem electron paramagnetic resonance spectroscopy experiments have been carried out between room temperature and 20 K to examine the radiation-induced defects in fictive temperature (Tf) treated Heraeus F300 silica (0.1 ppm OH, 1500 ppm Cl2). In particular, we focus our attention on Self-Trapped Hole (STH) centers detected in 1000 °C, 1100 °C, and 1200 °C Tf treated samples irradiated at room temperature by gamma rays at 6 kGy. By repeating annealing cycles between 77 and 300 K on the same samples, we observed that the EPR signal attributed to STH decreases as the temperature increases but in a reversible manner. We evidenced a deviation from the Curie law for T > 70 K and suggested an interpretation based on the decrease in the "strain-assisted TH" population by reversible excitation of the trapped hole to a delocalized state with an activation energy of 7.8 meV. This also means that the precursors of hole trapping sites (a local strain atomic configuration) remain stable until 300 K at least.

FIBER OPTICS: Role of point defects in the photosensitivity of hydrogen-loaded phosphosilicate glass

NASA Astrophysics Data System (ADS)

Larionov, Yu V.

2010-08-01

It is shown that point defect modifications in hydrogen-loaded phosphosilicate glass (PSG) do not play a central role in determining its photosensitivity. Photochemical reactions that involve a two-step point defect modification and pre-exposure effect are incapable of accounting for photoinduced refractive index changes. It seems likely that a key role in UV-induced refractive index modifications is played by structural changes in the PSG network. Experimental data are presented that demonstrate intricate network rearrangement dynamics during UV exposure of PSG.

Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

NASA Astrophysics Data System (ADS)

Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

2016-10-01

Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 °C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 °C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 °C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F2 2+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F2 2+ to F+ and this F+ is converted into F centers at 416 nm.

Inherited hypothyroidism.

PubMed

Jackson, I M

1976-03-01

Familial hypothyroidism results from both thyroidal and extrathyroidal dysfunction. Specific intrathyroidal abnormalities in thyroid hormone synthesis causing goitrous hypothyroidism are iodide trap defect, organification defect, "coupling" defect, iodoprotein defect, and dehalogenase defect. The diagnostic studies for each are outlined utilizing radioiodine(131I) studies. Other causes of cretinism include failure of the thyroid gland to respond to TSH and lack of pituitary TSH (or hypothalamic TRH). The syndrome of peripheral resistance to thyroid hormone is discussed. The diagnosis of inherited hypothyrodism rests on an adequate family history and measurement of both T4 and TSH levels which can be determined in cord blood or peripheral blood from the infant. The importance of early treatment of hypothyroidism in the neonatal period to prevent brain damage is emphasized. The rec:nt discovery of the importance of reverse T3 (RT3) in fetal thyroid metabolism is described, and the possibility of amniocentesis as an aid in prenatal diagnosis is considered. The place of intrauterine administration of thyroid hormone to the fetus at risk from hypothyroidism is uncertain at this time and requires carefully controlled studies and long-term follow-up.

Positron annihilation spectroscopy investigation of vacancy defects in neutron-irradiated 3 C -SiC

DOE PAGES

Hu, Xunxiang; Koyanagi, Takaaki; Katoh, Yutai; ...

2017-03-10

We described positron annihilation spectroscopy characterization results for neutron-irradiated 3 C -SiC, with a specific focus on explaining the size and character of vacancy clusters as a complement to the current understanding of the neutron irradiation response of 3 C -SiC. Positron annihilation lifetime spectroscopy was used to capture the irradiation temperature and dose dependence of vacancy defects in 3 C -SiC following neutron irradiation from 0.01 to 31 dpa in the temperature range from 380C °to 790C .° The neutral and negatively charged vacancy clusters were identified and quantified. The results suggest that the vacancy defects that were measuredmore » by positron annihilation spectroscopy technique contribute very little to the transient swelling of SiC. Additionally, we used coincidence Doppler broadening measurement to investigate the chemical identity surrounding the positron trapping sites.Finally, we found that silicon vacancy-related defects dominate in the studied materials and the production of the antisite defect C Si may result in an increase in the probability of positron annihilation with silicon core electrons.« less

Influence of Nb addition on vacancy defects and magnetic properties of the nanocrystalline Nd-Fe-B permanent magnets

NASA Astrophysics Data System (ADS)

Szwaja, Małgorzata; Gębara, Piotr; Filipecki, Jacek; Pawlik, Katarzyna; Przybył, Anna; Pawlik, Piotr; Wysłocki, Jerzy J.; Filipecka, Katarzyna

2015-05-01

In present work, influence of Nb addition on vacancy defects and magnetic properties of nanocrystalline Nd-Fe-B permanent magnets, was investigated. Samples with composition (Nd,Fe,B)100-xNbx (where x=6,7,8) were studied in as-cast state and after annealing. Samples were prepared by arc-melting with high purity of constituent elements under Ar atmosphere. Ribbons were obtained by melt-spinning technique under low pressure of Ar. Ribbon samples in as-cast state had amorphous structure and soft magnetic properties. Positron annihilation lifetime spectroscopy PALS has been applied to detection of positron - trapping voids (vacancy defects). With increase of Nb in alloy increasing of vacancy defects concentration was observed. Heat treatment of the samples was carried out at various temperatures (from 923 K to 1023 K) for 5 min, in order to obtain nanocrystalline structure. The aim of present work was to determine the influence of Nb addition and annealing conditions on the vacancy defects and magnetic properties of the Nd-Fe-B- type alloys in as-cast state and after heat treatment.

Investigation of Defects Origin in p-Type Si for Solar Applications

NASA Astrophysics Data System (ADS)

Gwóźdź, Katarzyna; Placzek-Popko, Ewa; Mikosza, Maciej; Zielony, Eunika; Pietruszka, Rafal; Kopalko, Krzysztof; Godlewski, Marek

2017-07-01

In order to improve the efficiency of a solar cell based on silicon, one must find a compromise between its price and crystalline quality. That is precisely why the knowledge of defects present in the material is of primary importance. This paper studies the defects in commercially available cheap Schottky titanium/gold silicon wafers. The electrical properties of the diodes were defined by using current-voltage and capacitance-voltage measurements. Low series resistance and ideality factor are proofs of the good quality of the sample. The concentration of the acceptors is in accordance with the manufacturer's specifications. Deep level transient spectroscopy measurements were used to identify the defects. Three hole traps were found with activation energies equal to 0.093 eV, 0.379 eV, and 0.535 eV. Comparing the values with the available literature, the defects were determined as connected to the presence of iron interstitials in the silicon. The quality of the silicon wafer seems good enough to use it as a substrate for the solar cell heterojunctions.

Smoothness of the future and past trapped sets in Kerr–Newman–Taub-NUT spacetimes

NASA Astrophysics Data System (ADS)

Paganini, Claudio F.; Oancea, Marius A.

2018-03-01

We consider the sets of future/past trapped null geodesics in the exterior region of a sub-extremal Kerr–Newman–Taub-NUT spacetime. We show that from the point of view of any timelike observer outside of such a black hole, trapping can be understood as two smooth sets of spacelike directions on the celestial sphere of the observer.

Density estimation using the trapping web design: A geometric analysis

USGS Publications Warehouse

Link, W.A.; Barker, R.J.

1994-01-01

Population densities for small mammal and arthropod populations can be estimated using capture frequencies for a web of traps. A conceptually simple geometric analysis that avoid the need to estimate a point on a density function is proposed. This analysis incorporates data from the outermost rings of traps, explaining large capture frequencies in these rings rather than truncating them from the analysis.

Visible sub-band gap photoelectron emission from nitrogen doped and undoped polycrystalline diamond films

NASA Astrophysics Data System (ADS)

Elfimchev, S.; Chandran, M.; Akhvlediani, R.; Hoffman, A.

2017-07-01

In this study the origin of visible sub-band gap photoelectron emission (PEE) from polycrystalline diamond films is investigated. The PEE yields as a function of temperature were studied in the wavelengths range of 360-520 nm. Based on the comparison of electron emission yields from diamond films deposited on silicon and molybdenum substrates, with different thicknesses and nitrogen doping levels, we suggested that photoelectrons are generated from nitrogen related centers in diamond. Our results show that diamond film thickness and substrate material have no significant influence on the PEE yield. We found that nanocrystalline diamond films have low electron emission yields, compared to microcrystalline diamond, due to the presence of high amount of defects in the former, which trap excited electrons before escaping into the vacuum. However, the low PEE yield of nanocrystalline diamond films was found to increase with temperature. The phenomenon was explained by the trap assisted photon enhanced thermionic emission (ta-PETE) model. According to the ta-PETE model, photoelectrons are trapped by shallow traps, followed by thermal excitation at elevated temperatures and escape into the vacuum. Activation energies of trap levels were estimated for undoped nanocrystalline, undoped microcrystalline and N-doped diamond films using the Richardson-Dushman equation, which gives 0.13, 0.39 and 0.04 eV, respectively. Such low activation energy of trap levels makes the ta-PETE process very effective at elevated temperatures.

Effects of artificially produced defects on film thickness distribution in sliding EHD point contacts

NASA Technical Reports Server (NTRS)

Cusano, C.; Wedeven, L. D.

1981-01-01

The effects of artificially produced dents and grooves on the elastohydrodynamic (EHD) film thickness profile in a sliding point contact were investigated by means of optical interferometry. The defects, formed on the surface of a highly polished ball, were held stationary at various locations within and in the vicinity of the contact region while the disk was rotating. It is shown that the defects, having a geometry similar to what can be expected in practice, can dramatically change the film thickness which exists when no defects are present in or near the contact. This change in film thickness is mainly a function of the position of the defects in the inlet region, the geometry of the defects, the orientation of the defects in the case of grooves, and the depth of the defect relative to the central film thickness.

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

NASA Astrophysics Data System (ADS)

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

2014-05-01

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

Insight into point defects and impurities in titanium from first principles

NASA Astrophysics Data System (ADS)

Nayak, Sanjeev K.; Hung, Cain J.; Sharma, Vinit; Alpay, S. Pamir; Dongare, Avinash M.; Brindley, William J.; Hebert, Rainer J.

2018-03-01

Titanium alloys find extensive use in the aerospace and biomedical industries due to a unique combination of strength, density, and corrosion resistance. Decades of mostly experimental research has led to a large body of knowledge of the processing-microstructure-properties linkages. But much of the existing understanding of point defects that play a significant role in the mechanical properties of titanium is based on semi-empirical rules. In this work, we present the results of a detailed self-consistent first-principles study that was developed to determine formation energies of intrinsic point defects including vacancies, self-interstitials, and extrinsic point defects, such as, interstitial and substitutional impurities/dopants. We find that most elements, regardless of size, prefer substitutional positions, but highly electronegative elements, such as C, N, O, F, S, and Cl, some of which are common impurities in Ti, occupy interstitial positions.

Ferromagnetism induced by point defect in Janus monolayer MoSSe regulated by strain engineering

NASA Astrophysics Data System (ADS)

Meng, Ming; Li, Tinghui; Li, Shaofeng; Liu, Kuili

2018-03-01

The formation and regulation of magnetism dependent on introduced defects in the Janus MoSSe monolayer has attracted much attention because of its potential application in spintronics. Here, we present a theoretical study of defect formation in the MoSSe monolayer and its introduced magnetism under external strain. The tensile deformation induced by external strain not only leads to decreases in defect formation energy, but also enhances magnetic characteristics. However, as compressed deformation increases, the magnetism in the structure induced by Se or S defects remains unchanged because this microstructural deformation adequately spin polarizes unpaired electrons of neighboring Mo atoms. Our results suggest the use of point defect and strain engineering in the Janus MoSSe monolayer for spintronics applications.

Nitrogen vacancy complexes in nitrogen irradiated metals

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

Veen, A. van; Westerduin, K.T.; Schut, H.

1996-12-31

Gas desorption and positron annihilation techniques have been employed to study the evolution of nitrogen associated defects in nitrogen irradiated metals: Fe, Ni, Mo and W. Nitrogen in these metals has a rather high affinity to vacancy type defects. The results obtained for low irradiation dose show that substitutional nitrogen (NV; with V = vacancy) is formed. The nitrogen vacancy complex dissociates at temperatures ranging from 350 K for Ni to 900 K for Mo and 1,100 K for W. At high doses defects are formed which can be characterized as nitrogen saturated vacancy clusters. These defect, as observed bymore » helium probing, disappear during annealing for nickel at 800 K, and for Mo at 1,100 K. The direct observation of the desorbing nitrogen for nickel and molybdenum reveals a very fast desorption transient at the dissociation temperature of the clusters. This is the characteristic desorption transient of a small nitride cluster, e.g., by shrinkage with constant rate. For iron the nitrogen desorption is more complicated because of a general background that continuously rises with temperature. With the positron beam technique depth information was obtained for defects in iron and the defect character could be established with the help of the information provided on annihilation with conduction and core electrons of the defect trapped positrons.« less

Hydrogen mobility in transition zone silicates

NASA Astrophysics Data System (ADS)

Caracas, Razvan; Panero, Wendy R.

2017-12-01

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

Cryogenic Quenching Process for Electronic Part Screening

NASA Technical Reports Server (NTRS)

Sheldon, Douglas J.; Cressler, John

2011-01-01

The use of electronic parts at cryogenic temperatures (less than 100 C) for extreme environments is not well controlled or developed from a product quality and reliability point of view. This is in contrast to the very rigorous and well-documented procedures to qualify electronic parts for mission use in the 55 to 125 C temperature range. A similarly rigorous methodology for screening and evaluating electronic parts needs to be developed so that mission planners can expect the same level of high reliability performance for parts operated at cryogenic temperatures. A formal methodology for screening and qualifying electronic parts at cryogenic temperatures has been proposed. The methodology focuses on the base physics of failure of the devices at cryogenic temperatures. All electronic part reliability is based on the bathtub curve, high amounts of initial failures (infant mortals), a long period of normal use (random failures), and then an increasing number of failures (end of life). Unique to this is the development of custom screening procedures to eliminate early failures at cold temperatures. The ability to screen out defects will specifically impact reliability at cold temperatures. Cryogenic reliability is limited by electron trap creation in the oxide and defect sites at conductor interfaces. Non-uniform conduction processes due to process marginalities will be magnified at cryogenic temperatures. Carrier mobilities change by orders of magnitude at cryogenic temperatures, significantly enhancing the effects of electric field. Marginal contacts, impurities in oxides, and defects in conductor/conductor interfaces can all be magnified at low temperatures. The novelty is the use of an ultra-low temperature, short-duration quenching process for defect screening. The quenching process is designed to identify those defects that will precisely (and negatively) affect long-term, cryogenic part operation. This quenching process occurs at a temperature that is at least 25 C colder than the coldest expected operating temperature. This quenching process is the opposite of the standard burn-in procedure. Normal burn-in raises the temperature (and voltage) to activate quickly any possible manufacturing defects remaining in the device that were not already rejected at a functional test step. The proposed inverse burn-in or quenching process is custom-tailored to the electronic device being used. The doping profiles, materials, minimum dimensions, interfaces, and thermal expansion coefficients are all taken into account in determining the ramp rate, dwell time, and temperature.

Cold-trapped organic compounds at the poles of the Moon and Mercury: Implications for origins

NASA Astrophysics Data System (ADS)

Zhang, Jo Ann; Paige, David A.

2009-08-01

We have calculated evaporation rates for a range of organic compounds that may be cold-trapped at the poles of the Moon and Mercury. Organics vary widely in their volatilities and thus can be stable to evaporation at higher and lower temperatures than water. The detection of cold-trapped organics would point to volatile delivery by impacts, as comets and asteroids are the only plausible sources for organic molecules. The characterization of cold-trapped organics on both bodies may provide constraints on the thermal evolution of cold traps over time and the history of volatiles in the inner solar system.

Effects of LED phototherapy on bone defects grafted with MTA, bone morphogenetic proteins and guided bone regeneration: a Raman spectroscopic study.

PubMed

Pinheiro, Antonio L B; Soares, Luiz G P; Cangussú, Maria Cristina T; Santos, Nicole R S; Barbosa, Artur Felipe S; Silveira Júnior, Landulfo

2012-09-01

We studied peaks of calcium hydroxyapatite (CHA) and protein and lipid CH groups in defects grafted with mineral trioxide aggregate (MTA) treated or not with LED irradiation, bone morphogenetic proteins and guided bone regeneration. A total of 90 rats were divided into ten groups each of which was subdivided into three subgroups (evaluated at 15, 21 and 30 days after surgery). Defects were irradiated with LED light (wavelength 850 ± 10 nm) at 48-h intervals for 15 days. Raman readings were taken at the surface of the defects. There were no statistically significant differences in the CHA peaks among the nonirradiated defects at any of the experimental time-points. On the other hand, there were significant differences between the defects filled with blood clot and the irradiated defects at all time-points (p < 0.001, p = 0.02, p < 0.001). There were significant differences between the mean peak CHA in nonirradiated defects at all the experimental time-points (p < 0.01). The mean peak of the defects filled with blood clot was significantly different from that of the defects filled with MTA (p < 0.001). There were significant differences between the defects filled with blood clot and the irradiated defects (p < 0.001). The results of this study using Raman spectral analysis indicate that infrared LED light irradiation improves the deposition of CHA in healing bone grafted or not with MTA.

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

NASA Technical Reports Server (NTRS)

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

1982-01-01

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

Trapping photons on the line: controllable dynamics of a quantum walk

NASA Astrophysics Data System (ADS)

Xue, Peng; Qin, Hao; Tang, Bao

2014-04-01

Optical interferometers comprising birefringent-crystal beam displacers, wave plates, and phase shifters serve as stable devices for simulating quantum information processes such as heralded coined quantum walks. Quantum walks are important for quantum algorithms, universal quantum computing circuits, quantum transport in complex systems, and demonstrating intriguing nonlinear dynamical quantum phenomena. We introduce fully controllable polarization-independent phase shifters in optical pathes in order to realize site-dependent phase defects. The effectiveness of our interferometer is demonstrated through realizing single-photon quantum-walk dynamics in one dimension. By applying site-dependent phase defects, the translational symmetry of an ideal standard quantum walk is broken resulting in localization effect in a quantum walk architecture. The walk is realized for different site-dependent phase defects and coin settings, indicating the strength of localization signature depends on the level of phase due to site-dependent phase defects and coin settings and opening the way for the implementation of a quantum-walk-based algorithm.

Effects of alloy composition and Si-doping on vacancy defect formation in (InxGa1-x)2O3 thin films

NASA Astrophysics Data System (ADS)

Prozheeva, V.; Hölldobler, R.; von Wenckstern, H.; Grundmann, M.; Tuomisto, F.

2018-03-01

Various nominally undoped and Si-doped (InxGa1-x)2O3 thin films were grown by pulsed laser deposition in a continuous composition spread mode on c-plane α-sapphire and (100)-oriented MgO substrates. Positron annihilation spectroscopy in the Doppler broadening mode was used as the primary characterisation technique in order to investigate the effect of alloy composition and dopant atoms on the formation of vacancy-type defects. In the undoped samples, we observe a Ga2O3-like trend for low indium concentrations changing to In2O3-like behaviour along with the increase in the indium fraction. Increasing indium concentration is found to suppress defect formation in the undoped samples at [In] > 70 at. %. Si doping leads to positron saturation trapping in VIn-like defects, suggesting a vacancy concentration of at least mid-1018 cm-3 independent of the indium content.

Hollow-Core Photonic Band Gap Fibers for Particle Acceleration

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

Noble, Robert J.; Spencer, James E.; /SLAC

Photonic band gap (PBG) dielectric fibers with hollow cores are being studied both theoretically and experimentally for use as laser driven accelerator structures. The hollow core functions as both a longitudinal waveguide for the transverse-magnetic (TM) accelerating fields and a channel for the charged particles. The dielectric surrounding the core is permeated by a periodic array of smaller holes to confine the mode, forming a photonic crystal fiber in which modes exist in frequency pass-bands, separated by band gaps. The hollow core acts as a defect which breaks the crystal symmetry, and so-called defect, or trapped modes having frequencies inmore » the band gap will only propagate near the defect. We describe the design of 2-D hollow-core PBG fibers to support TM defect modes with high longitudinal fields and high characteristic impedance. Using as-built dimensions of industrially-made fibers, we perform a simulation analysis of the first prototype PBG fibers specifically designed to support speed-of-light TM modes.« less

Defect stability in thorium monocarbide: An ab initio study

NASA Astrophysics Data System (ADS)

Wang, Chang-Ying; Han, Han; Shao, Kuan; Cheng, Cheng; Huai, Ping

2015-09-01

The elastic properties and point defects of thorium monocarbide (ThC) have been studied by means of density functional theory based on the projector-augmented-wave method. The calculated electronic and elastic properties of ThC are in good agreement with experimental data and previous theoretical results. Five types of point defects have been considered in our study, including the vacancy defect, interstitial defect, antisite defect, schottky defect, and composition-conserving defect. Among these defects, the carbon vacancy defect has the lowest formation energy of 0.29 eV. The second most stable defect (0.49 eV) is one of composition-conserving defects in which one carbon is removed to another carbon site forming a C2 dimer. In addition, we also discuss several kinds of carbon interstitial defects, and predict that the carbon trimer configuration may be a transition state for a carbon dimer diffusion in ThC. Project supported by the International S&T Cooperation Program of China (Grant No. 2014DFG60230), the National Natural Science Foundation of China (Grant No. 91326105), the National Basic Research Program of China (Grant No. 2010CB934504), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA02040104).