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At least 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

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

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 two 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.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Atomic resolution strain analysis in highly textured FePt thin films

In this work, we present a detailed investigation of FePt-substrate interfaces and their influence towards the microstructural and magnetic configurations of the resulting metallic films. Discontinuous FePt films of roughly 15 nm thickness are deposited at 750 °C on MgO, MgAl{sub 2}O{sub 4}, SrTiO{sub 3}, and (La,Sr)(Al,Ta)O{sub 3} single-crystalline substrates. All of these films mainly show out-of-plane textured FePt islands; however, fractions of L1{sub 2} and in-plane oriented crystals are observed for the films on substrates with reduced lattice mismatch. Reduced easy axis coercivities and enhanced hard axis remanence values affirm this observation. Moreover, quantitative high-resolution transmission electron microscope analysis reveals that the reduced lattice mismatch results in a decreased density of dislocations, especially misfit dislocations, at the FePt-substrate interface. To further extend the research, carbon-doped FePt+32%C films are deposited on single-crystalline and sputtered MgO at 750 °C and 650 °C, respectively, to characterize the influence of a segregating media and reduced grain size. A comparison to the pure FePt sample reveals that the presence of seed layer grain boundaries leads to an increased fraction of in-plane oriented material, while the density of misfit dislocations solely depends on the degree of lattice mismatch.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Material transport via the emission of shear loops during void growth: A molecular dynamics study

The growth of a nanovoid in single-crystal copper has been studied via molecular dynamics (MD) method. The objective is to build the correlation between material transport pattern and dislocation structures. MD results are examined by characterizing the material transport via the “relative displacement” of atoms, where the homogenous elastic deformation has been excluded. Through this novel approach, we are able to illustrate the feasibility of void growth induced by shear loops/curves. At a smaller scale, the formation and emission of shear loops/curves contribute to the local mass transport. At a larger scale, a new mechanism of void growth via frustum-like dislocation structure is revealed. A phenomenological description of void growth via frustum-like dislocation structure is also proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Improvement of electron mobility in La:BaSnO{sub 3} thin films by insertion of an atomically flat insulating (Sr,Ba)SnO{sub 3} buffer layer

One perovskite oxide, ASnO{sub 3} (A = Sr, Ba), is a candidate for use as a transparent conductive oxide with high electron mobility in single crystalline form. However, the electron mobility of films grown on SrTiO{sub 3} substrates does not reach the bulk value, probably because of dislocation scattering that originates from the large lattice mismatch. This study investigates the effect of insertion of bilayer BaSnO{sub 3} / (Sr,Ba)SnO{sub 3} for buffering this large lattice mismatch between La:BaSnO{sub 3} and SrTiO{sub 3} substrate. The insertion of 200-nm-thick BaSnO{sub 3} on (Sr,Ba)SnO{sub 3} bilayer buffer structures reduces the number of dislocations and improves surface smoothness of the films after annealing as proved respectively by scanning transmission electron microscopy and atomic force microscopy. A systematic investigation of BaSnO{sub 3} buffer layer thickness dependence on Hall mobility of the electron transport in La:BaSnO{sub 3} shows that the highest obtained value of mobility is 78 cm{sup 2}V{sup −1}s{sup −1} because of its fewer dislocations. High electron mobility films based on perovskite BaSnO{sub 3} can provide a good platform for transparent-conducting-oxide electronic devices and for creation of fascinating perovskite heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Improving optical performance of GaN nanowires grown by selective area growth homoepitaxy: Influence of substrate and nanowire dimensions

Series of GaN nanowires (NW) with controlled diameters (160–500 nm) and heights (420–1100 nm) were homoepitaxially grown on three different templates: GaN/Si(111), GaN/AlN/Si(111), and GaN/sapphire(0001). Transmission electron microscopy reveals a strong influence of the NW diameter on dislocation filtering effect, whereas photoluminescence measurements further relate this effect to the GaN NWs near-bandgap emission efficiency. Although the templates' quality has some effects on the GaN NWs optical and structural properties, the NW diameter reduction drives the dislocation filtering effect to the point where a poor GaN template quality becomes negligible. Thus, by a proper optimization of the homoepitaxial GaN NWs growth, the propagation of dislocations into the NWs can be greatly prevented, leading to an exceptional crystal quality and a total dominance of the near-bandgap emission over sub-bandgap, defect-related lines, such as basal stacking faults and so called unknown exciton (UX) emission. In addition, a correlation between the presence of polarity inversion domain boundaries and the UX emission lines around 3.45 eV is established.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Scanning Transmission Electron Microscopy–Atom Probe Tomography Correlative Analysis for the Characterization of Solute-defect Interactions

Atom probe tomography (APT) and (scanning) transmission electron microscopy ((S)TEM) are complementary techniques that provide spatially resolved chemical and structural information at the atomic scale. Here, in this study, we employ two different STEM/APT correlative analysis methods to investigate Cr segregation at dislocation loops in ultra-high purity Fe–Cr alloys. APT needles for the correlative analysis were extracted either from bulk material or from thinned TEM lamellae. STEM analysis was used to determine the Burgers vectors of ion-irradiation-induced dislocation loops, while APT reconstruction of the same region revealed the Cr segregation to these loops. We extended the g•b = 0 invisibility criterion of dislocation loops from TEM mode in a lamella to STEM mode in a needle-shaped specimen. STEM and APT analysis on the same needle provide straightforward correlative analysis, although it is limited by a small observation volume. In contrast, iterative STEM analysis of TEM lamellae, followed by the selective extraction of specific regions of interest for APT analysis, expands the observation area by up to 100 times but requires additional time-consuming steps for APT needle extraction from the lamellae.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

At Extreme Strain Rates, Pure Metals Thermally Harden while Alloys Thermally Soften

When materials are deformed at extreme strain rates, >10 6 s -1 , a counterintuitive mechanical response is seen where the strength and hardness of pure metals increases with increasing temperature. This anti-thermal hardening is due to dislocations meeting resistance to their motion from phonons in the crystal lattice. However, here, using optically-driven microballistic impact testing to measure dynamic strength and hardness, we show that when the composition is systematically varied away from high purity, the mechanical response of metals transitions from phonon drag of dislocations back to thermally activated pinning of dislocations, even at the highest strain rates. This boundary from “hotter-is-stronger” to “hotter-is-softer” is observed and mapped for nickel, titanium and gold. Furthermore, the ability to tune between deformation mechanisms with very different temperature dependencies speaks to new directions for alloy design in extreme conditions.

Ballistic transport↗
DOE OSTI2021

Inhomogeneous time-reversal symmetry breaking in Sr 2 RuO 4

We show that the observed time-reversal symmetry breaking (TRSB) of the superconducting state in Sr 2 RuO 4 can be understood as originating from inhomogeneous strain fields near edge dislocations of the crystal. Specifically, we argue that, without strain inhomogeneities, Sr 2 RuO 4 is a single-component, time-reversal symmetric superconductor, likely with d x 2 -y 2 symmetry. However, due to the strong strain inhomogeneities generated by dislocations, a slowly decaying subleading pairing state contributes to the condensate in significant portions of the sample. As it phase winds around the dislocation, time-reversal symmetry is locally broken. Global phase locking and TRSB occur at a sharp Ising transition that is not accompanied by a change of the single-particle gap and yields a very small heat capacity anomaly. Our model thus explains the puzzling absence of a measurable heat capacity anomaly at the TRSB transition in strained samples and the dilute nature of the time-reversal symmetry broken state probed by muon spin rotation experiments. We propose that plastic deformations of the material may be used to manipulate the onset of broken time-reversal symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Synergetic effects of dual-beam implantation on the microstructural development in silicon

We report a synergy effect on the microstructural development of silicon specimens as a result of dual-beam high temperature irradiation/implantation. In situ transmission electron microscopy experiments using two different experimental setups have been used, where the primary 50 keV Co{sup +} ion implantation beam was supplemented with either a 300 keV electron beam or a 500 keV Si{sup +} ion beam. In both cases, the secondary beam intensity was such that both beams created comparable overall primary damage. Completely different microstructural response has been found in these two cases. An intensive electron irradiation was found to sharply accelerate the evolution of dislocation structure, only weakly affecting the disilicide kinetics. On the contrary, the Si ion beam weakly affected the kinetics of either dislocation loops or coherent CoSi{sub 2} precipitates, but drastically increased the number density of thermodynamically unstable semicoherent precipitates. Possible microstructural reasons for the observed effects and the implications for both dislocation loop and cobalt disilicide nucleation mechanisms in high-temperature implanted TEM samples are discussed and supported by detailed molecular dynamics calculations of annealing of cascade remnants produced by the energetic silicon recoils.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Solutes that reduce yield strength anisotropies in magnesium from first principles

Using Labusch-type solid solution strengthening models parameterized with DFT-computed solute-dislocation interaction energies, we perform a computational search for 63 solutes across the periodic table to find those that lower anisotropy ratios (non-basal to basal CRSS) of magnesium potentially increasing its ductility per the von Mises criterion. For this purpose, we compute changes in strength for solutes as a function of composition and temperature, and compute anisotropy ratios for solutes that include both rare earth and non-rare earth elements. Here we specifically focus on solute-dislocation interaction energies in the following DFT-optimized dislocations as representative of three non-basal plastic deformation modes: $\langle c + a \rangle$ edge, (10$\bar1$2) tension twinning edge, and the (10$\bar{1}$1) compression twinning edge. We find that solute-induced changes in non-basal deformation modes can be approximated using a second-order polynomial in the size misfit of the solutes, which permits rapid screening of solutes. Our approach to identify solutes known to improve strengthening incorporates solute solubility, and suggests other solutes that not have been previously explored for strengthening. The 8 rare-earth solutes that our method suggests as the best, ordered by increasing anisotropy ratios at their optimal concentrations, are: Gd, Tb, Dy, Nd, Ho, Er, Tm, and Yb. The 12 non-rare-earth solutes that our method suggests as the best, ordered by increasing anisotropy ratios, are: Y, Mn, Sc, Pb, Ca, Ag, Bi, Tl, Zn, Li, Ga, and Al. Of these, Gd, Nd, Er, Yb, Y, Mn, Ca, Zn, Li, and Al are used in commercial Mg alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microstructure-Property Relationships in Epitaxial Cu(In, Ga)Se2 Solar-Cell Absorbers

Epitaxially grown Cu(In,Ga)Se 2 (CIGS) absorber layers were analyzed by various techniques in scanning electron microscopy in order to reveal microstructure-property relationships in these thin films. Owing to their epitaxial nature, these CIGS absorber layers do not contain any grain boundaries, but only anti-phase domains (APDs) and dislocations. By combining electron channeling-contrast imaging, electron backscatter diffraction, and cathodoluminescence (CL), in some cases on identical specimen positions of polished cross-sections of CIGS/Mo/glass stacks, it was possible to correlate the presence and orientations of APDs and dislocations with the lateral distributions of the CL intensity and emission-peak energy. We studied CIGS layers with three different [Ga]/([Ga]+[In]) ratios as well as with and without NaF/KF treatments. Considerable differences between the CIGS layer properties in the microstructure-property relationships were found, depending on the growth parameters. Dislocations in the epitaxial CIGS layers do not tend to exhibit strong CL intensity decreases, which contrasts with the situation in numerous other semiconductor materials.

anti-phase domains↗
DOE OSTI2014

Defects in nonpolar (134{sup ¯}0) ZnO epitaxial film grown on (114) LaAlO{sub 3} substrate

The defects in (134{sup ¯}0)ZnO epitaxial film grown on (114)LaAlO{sub 3} (LAO) have been systematically investigated by using transmission electron microscopy. At the ZnO/LAO interface, the Burgers vectors of misfit dislocations are identified to be 1/3[1{sup ¯}21{sup ¯}0] and 1/2[0001]. Threading dislocations with the Burgers vectors of 1/3〈112{sup ¯}0〉 and 〈0001〉 are distributed on the basal plane. In (134{sup ¯}0)ZnO film, the predominant planar defects are basal stacking faults (BSFs) with 1/6〈202{sup ¯}3〉 displacement vectors. The densities of dislocations and BSFs are about 3.8 × 10{sup 10} cm{sup −2} and 3.1 × 10{sup 5} cm{sup −1}, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Magnetoplasticity and diffusion in silicon single crystals

The effect of static magnetic fields on the dynamics of surface dislocation segments, as well as the diffusion mobility of a dopant in silicon single crystals, has been analyzed. It has been experimentally found that the preliminary treatment of p-type silicon plates (the dopant is boron with a concentration of 10{sup 16} cm{sup -3}) in the static magnetic field (B = 1 T, a treatment time of 30 min) leads to an increase in the mobility of surface dislocation segments. The characteristic times of observed changes (about 80 h) and the threshold dopant concentration (10{sub 15} cm{sup -3}) below which the magneto-optical effect in silicon is not fixed have been determined. It has been found that diffusion processes in dislocation-free silicon are magnetically sensitive: the phosphorus diffusion depth in p-type silicon that is preliminarily aged in the static magnetic field increases (by approximately 20%) compared to the reference samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The role of AlGaN buffers and channel thickness in the electronic transport properties of Al{sub x}In{sub 1–x}N/AlN/GaN heterostructures

We try to theoretically analyze the reported experimental data of the Al{sub x}In{sub 1–x}N/AlN/GaN heterostructures grown by MOCVD and quantitatively investigate the effects of AlGaN buffers and the GaNchannel thickness on the electrical transport properties of these systems. Also, we obtain the most important effective parameters of the temperature-dependent mobility in the range 35–300 K. Our results show that inserting a 1.1 μm thick Al{sub 0.04}Ga{sub 0.96}N buffer enhances electron mobility by decreasing the effect of phonons, the interface roughness, and dislocation and crystal defect scattering mechanisms. Also, as the channel thickness increases from 20 nm to 40 nm, the electron mobility increases from 2200 to 2540 cm{sup 2}/(V s) and from 870 to 1000 cm{sup 2}/(V s) at 35 and 300 K respectively, which is attributed to the reduction in the dislocation density and the strain-induced field. Finally, the reported experimental data show that inserting a 450 nm graded AlGaN layer before an Al{sub 0.04}Ga{sub 0.96}N buffer causes a decrease in the electron mobility, which is attributed to the enhancement of the lateral size of roughness, the dislocation density, and the strain-induced field in this sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Photoluminescence in silicon implanted with erbium ions at an elevated temperature

Photoluminescence spectra of n-type silicon upon implantation with erbium ions at 600 Degree-Sign C and oxygen ions at room temperature and subsequent annealings at 1100 Degree-Sign C in a chlorine-containing atmosphere have been studied. Depending on the annealing duration, photoluminescence spectra at 80 K are dominated by lines of the Er{sup 3+} ion or dislocation-related luminescence. The short-wavelength shift of the dislocation-related luminescence line observed at this temperature is due to implantation of erbium ions at an elevated temperature. At room temperature, lines of erbium and dislocation-related luminescence are observed in the spectra, but lines of near-band-edge luminescence predominate.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Two Stages of Impact Fracture of Polycrystalline ZnS and ZnSe Compounds

Mechanoluminescence (ML) in ductile solids is caused by the motion of charged dislocations in the deformable material. Interatomic bond ruptures followed by electronic structure reconfiguration are the main source of ML in brittle bodies. We studied ML in ceramics composed of mixed ionic/covalent ZnS and ZnSe compounds, which are generated during impact loading higher than the limit deformation. Depending on synthesis method and thermal treatment, the resulting ceramics had different size and geometry of grains and intergrain boundary structure, which presumably may have a significant effect on the dislocation glide. In both materials, the time sweeps of ML pulses have two well-resolved peaks. The position of the peaks along the time axis is substantially dependent on the size of ceramic-forming grains and, to a smaller extent, on the barrier properties of intergrain boundaries. The first peak is associated with plastic deformation preceding disintegration of the crystal structure. The second peak emerges upon crack nucleation as interatomic bonds are ruptured and the material is undergoing local deformation in tips of propagating cracks. The distributions of ML pulse amplitudes (the dependences between the number of pulses and their amplitude) calculated for both peaks individually follow the power law, which demonstrates that the electronic processes having different excitation mechanisms (dislocation motion vs bond rupture) are correlated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Influence of the Guinier–Preston Zones on the Concentration Dependence of the Yield Point of the Aged Two-Component Alloys in Conditions of High-Speed Deformation

The glide of an ensemble of edge dislocations at the high-speed deformation of an aged binary metal alloy is theoretically analyzed. The yield stress of the alloy is a nonmonotone function of the second component concentration, which has a maximum and a minimum under certain conditions. The maximum corresponds to the transfer from the dominating influence of dislocation collective interaction on creation of a spectral gap to the prevalence of the influence of collective interaction of atoms of the second component. The minimum of the obtained curve corresponds to the transfer from the prevalence of the drag of the dislocation by the Guinier–Preston zones to the prevalence of its drag by the atoms of the second component.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Strain-path change tests and physically based polycrystalline modeling of the behavior of recrystallized zirconium alloys - 2016-0092

Zirconium alloys used as cladding tubes for the fuel of pressurized water reactors can undergo high applied stress during power transients. In these conditions, biaxial loading may lead to plastic deformation of the cladding. A comprehensive understanding of the material mechanical response during loading-path change tests is an important step toward predicting the behavior in these specific conditions. Using a nonstandard mechanical testing machine, we conducted loading-path change tests at 623 K on as-received recrystallized Zircaloy-4 tubes. These tests consisted of an axial tensile loading and unloading followed by an internal pressure (or pure hoop tension) loading and unloading. These tests examined the kinematic and isotropic hardening components of the strain hardening behavior of the thin cladding tubes. The isotropic hardening was attributed to dislocation multiplication and dislocation-dislocation interactions. The kinematic hardening was attributed to the interaction of the grains with each other. A polycrystalline model was also used and improved in order to simulate the tests. A good prediction of the isotropic and kinematic hardening was provided by the modeling. (authors)

36 MATERIALS SCIENCE↗