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John Pendry: His Contributions to the Development of LEED Surface Crystallography

Description: In this paper we discuss the pivotal role played by Sir John Pendry in the development of Low Energy Electron Diffraction (LEED) during the past three decades; the earliest understanding on the physics of LEED to the development of sophisticated methods for the structural solution of complex surfaces.
Date: October 15, 2007
Creator: Somorjai, Gabor A. & Rous, P. J.
Partner: UNT Libraries Government Documents Department

Surface structural analysis of LiF(100) thin films grown on Pt(111)

Description: The surface structure of a multilayer LiF(100) thin film grown on Pt(111) from the vapor has been determined by the automated tensor low energy electron diffraction (LEED) method. The final structure, which refined to a Pendry R-factor (RP) of 0.24, had a surface corrugation (D1) of 0.24+-0.04 Angstrom due to the Li+ being displaced towards the bulk, leaving the initially coplanar F - unshifted. A similar intralayer corrugation due to the movement of the Li+ was also observed in the layer immediately under the surface layer, although to a lesser degree: D2=0.07+-0.04 Angstrom. This asymmetric relaxation resulted in the reduction of the first interlayer spacing, d(F2-Li1), to 1.77+-0.0 6 Angstrom from the ideal value of 2.01 Angstrom. The second interlayer spacing, d(Li3-F2), was within error bars of the bulk value, 2.01 Angstrom.
Date: August 29, 2002
Creator: Roberts, J.G.; Van Hove, M.A. & Somorjai, G.A.
Partner: UNT Libraries Government Documents Department

Atomic resolution 3D electron diffraction microscopy

Description: Electron lens aberration is the major barrier limiting the resolution of electron microscopy. Here we describe a novel form of electron microscopy to overcome electron lens aberration. By combining coherent electron diffraction with the oversampling phasing method, we show that the 3D structure of a 2 x 2 x 2 unit cell nano-crystal (framework of LTA [Al12Si12O48]8) can be ab initio determined at the resolution of 1 Angstrom from a series of simulated noisy diffraction pattern projections with rotation angles ranging from -70 degrees to +70 degrees in 5 degrees increments along a single rotation axis. This form of microscopy (which we call 3D electron diffraction microscopy) does not require any reference waves, and can image the 3D structure of nanocrystals, as well as non-crystalline biological and materials science samples, with the resolution limited only by the quality of sample diffraction.
Date: March 1, 2002
Creator: Miao, Jianwei; Ohsuna, Tetsu; Terasaki, Osamu & O'Keefe, Michael A.
Partner: UNT Libraries Government Documents Department

Low-energy electron diffraction study of the thermal expansion of Ag(111)

Description: The temperature dependence of the first three interlayer distances of the Ag(111) surface was studied by low-energy electron diffraction (LEED) over the temperature range 128K to 723 K. The first three interlayer spacings and the effective Debye temperatures were extracted from the LEED analysis. At the lowest temperature, the first two interlayer spacings are slightly (0.5 percent) contracted. All three interlayer spacings increase with temperature, finally reaching expansions relative to the bulk of about 0.8 percent at the highest temperature studied. The effective surface Debye temperature is lowest for the outermost layer, increasing toward the bulk value for successive layers.
Date: May 19, 2000
Creator: Soares, E.A.; Leatherman, G.S.; Diehl, R.D. & Van Hove, M.A.
Partner: UNT Libraries Government Documents Department

The atomic structure of the cleaved Si(111)-(2x1) surface refined by dynamical LEED

Description: New or modified models have been proposed for the much-studied Si(111)-(2x1) surface structure, including: a reverse-tilted p-bonded chain model (by Zitzlsperger et al); a three-bond scission model (by Haneman et al); and a p-bonded chain model with enhanced vibrations (present work). These models are compared here to the generally accepted modified p-bonded chain model (by Himpsel et al, 1984), by analyzing low-energy electron diffraction (LEED) I-V curves measured earlier. Using the efficient automated tensor LEED technique, the models can be refined to a much greater degree than with earlier methods of LEED analysis. This study distinctly favors the earlier modified p-bonded chain model, but with strongly enhanced vibrations. To compare models that have different numbers of adjustable free parameters a Hamilton ratio test is used: it can distinguish between improvement due to a better model and improvement due only to more parameters.
Date: March 1, 2004
Creator: Xu, Geng; Deng, Bingcheng; Yu, Zhaoxian; Tong, S.Y.; Van Hove, M.A.; Jona, F. et al.
Partner: UNT Libraries Government Documents Department

Revealing Charge Density Wave Formation in the LaTe2 System byAngle Resolved Photoemission Spectroscopy

Description: We present the first direct study of charge density wave(CDW) formation in quasi-2D single layer LaTe2 using high-resolutionangle resolved photoemission spectroscopy (ARPES) and low energy electrondiffraction (LEED). CDW formation is driven by Fermi surface (FS)nesting, however characterized by a surprisingly smaller gap (~;50 meV)than seen in the double layer RTe3 compounds, extending over the entireFS. This establishes LaTe2 as the first reported semiconducting 2D CDWsystem where the CDW phase is FS nesting driven. In addition, the layerdependence of this phase in the tellurides and the possible transitionfrom a stripe to a checkerboard phase is discussed.
Date: November 15, 2006
Creator: Garcia, D. R.; Gweon, G.-H.; Zhou, S. Y.; Graf, J.; Jozwiak, C. M.; Jung, M. H. et al.
Partner: UNT Libraries Government Documents Department

Using Pattern Search Methods for Surface Structure Determinationof Nanomaterials

Description: Atomic scale surface structure plays an important roleindescribing many properties of materials, especially in the case ofnanomaterials. One of the most effective techniques for surface structuredetermination is low-energy electron diffraction (LEED), which can beused in conjunction with optimization to fit simulated LEED intensitiesto experimental data. This optimization problem has a number ofcharacteristics that make it challenging: it has many local minima, theoptimization variables can be either continuous or categorical, theobjective function can be discontinuous, there are no exact analyticderivatives (and no derivatives at all for categorical variables), andfunction evaluations are expensive. In this study, we show how to apply aparticular class of optimization methods known as pattern search methodsto address these challenges. These methods donot explicitly usederivatives, and are particularly appropriate when categorical variablesare present, an important feature that has not been addressed in previousLEED studies. We have found that pattern search methods can produceexcellent results, compared to previously used methods, both in terms ofperformance and locating optimal results.
Date: June 9, 2006
Creator: Zhao, Zhengji; Meza, Juan & Van Hove, Michel
Partner: UNT Libraries Government Documents Department

Future Science Needs and Opportunities for Electron Scattering: Next-Generation Instrumentation and Beyond. Report of the Basic Energy Sciences Workshop on Electron Scattering for Materials Characterization, March 1-2, 2007

Description: To identify emerging basic science and engineering research needs and opportunities that will require major advances in electron-scattering theory, technology, and instrumentation.
Date: March 2, 2007
Creator: Miller, D. J.; Williams, D. B.; Anderson, I. M.; Schmid, A. K. & Zaluzec, N. J.
Partner: UNT Libraries Government Documents Department

Al2O3 Scale Development on Iron Aluminides

Description: The structure and phase of the Al{sub 2}O{sub 3} scale that forms on an Fe{sub 3}Al-based alloy (Fe-28Al-5Cr) (at %) was investigated by transmission electron microscopy (TEM) and photoluminescence spectroscopy (PL). Oxidation was performed at 900 C and 1000 C for up to 190 min. TEM revealed that single-layer scales were formed after short oxidation times. Electron diffraction was used to show that the scales are composed of nanoscale crystallites of the {theta}, {gamma}, and {alpha} phases of alumina. Band-like structure was observed extending along three 120{sup o}-separated directions within the surface plane. Textured {theta} and {gamma} grains were the main components of the bands, while mixed {alpha} and transient phases were found between the bands. Extended oxidation produced a double-layered scale structure, with a continuous {alpha} layer at the scale/alloy interface, and a {gamma}/{theta} layer at the gas surface. The mechanism for the formation of Al{sub 2}O{sub 3} scales on iron aluminide alloys is discussed and compared to that for nickel aluminide alloys.
Date: November 10, 2005
Creator: Zhang, Xiao-Feng; Thaidigsmann, Katja; Ager, Joel & Hou, Peggy Y.
Partner: UNT Libraries Government Documents Department

Variable Energy 2-MeV S-Band Linac for X-ray and Other Applications

Description: This paper describes the design and operation of a compact, 2-MeV, S-band linear accelerator (linac) with variable energy tuning and short-pulse operation down to 15 ps with 100-A peak current. The design consists of a buncher cavity for short-pulse operation and two coupled resonator sections for acceleration. Single-pulse operation is accomplished through a fast injector system with a 219-MHz subharmonic buncher. The machine is intended to support a variety of applications, such as x-ray and electron beam diagnostic development, and recently, electron diffraction studies of phase transitions in shocked materials.
Date: July 1, 2008
Creator: Bender, H.; Schwellenbach, D.; Sturges, R. & Trainham, R.
Partner: UNT Libraries Government Documents Department

Electron Diffraction Experiments using Laser Plasma Electrons

Description: We demonstrate that electrons emitted from a laser plasma can be used to generate diffraction patterns in reflection and transmission. The electrons are emitted in the direction of laser polarization with energies up to 100 keV. The broad electron energy spectrum makes possible the generation of a ''streaked'' diffraction pattern which allows recording fast processes in a single run.
Date: September 7, 2005
Creator: Fill, E E; Trushin, S; Tommasini, R & Bruch, R
Partner: UNT Libraries Government Documents Department

Precession Electron Diffraction Assisted Characterization of Deformation in α and α+β Titanium Alloys

Description: Ultra-fine grained materials with sub-micrometer grain size exhibit superior mechanical properties when compared with conventional fine-grained material as well as coarse-grained materials. Severe plastic deformation (SPD) techniques have been shown to be an effective way to modify the microstructure in order to improve the mechanical properties of the material. Crystalline materials require dislocations to accommodate plastic strain gradients and maintain lattice continuity. The lattice curvature exists due to the net dislocation that left behind in material during deformation. The characterization of such defects is important to understand deformation accumulation and the resulting mechanical properties of such materials. However, traditional techniques are limited. For example, the spatial resolution of EBSD is insufficient to study materials processed via SPD, while high dislocation densities make interpretations difficult using conventional diffraction contrast techniques in the TEM. A new technique, precession electron diffraction (PED) has gained recognition in the TEM community to solve the local crystallography, including both phase and orientation, of nanocrystalline structures under quasi-kinematical conditions. With the assistant of precession electron diffraction coupled ASTARÔ, the structure evolution of equal channel angular pressing processed commercial pure titanium is studied; this technique is also extended to two-phase titanium alloy (Ti-5553) to investigate the existence of anisotropic deformation behavior of the constituent alpha and beta phases.
Date: August 2015
Creator: Liu, Yue
Partner: UNT Libraries

TEM studies of laterally overgrown GaN layers grown on non-polarsubstrates

Description: Transmission electron microscopy (TEM) was used to study pendeo-epitaxial GaN layers grown on polar and non-polar 4H SiC substrates. The structural quality of the overgrown layers was evaluated using a number of TEM methods. Growth of pendeo-epitaxial layers on polar substrates leads to better structural quality of the overgrown areas, however edge-on dislocations are found at the meeting fronts of two wings. Some misorientation between the 'seed' area and wing area was detected by Convergent Beam Electron Diffraction. Growth of pendeo-epitaxial layers on non-polar substrates is more difficult. Two wings on the opposite site of the seed area grow in two different polar directions with different growth rates. Most dislocations in a wing grown with Ga polarity are 10 times wider than wings grown with N-polarity making coalescence of these layers difficult. Most dislocations in a wing grown with Ga polarity bend in a direction parallel to the substrate, but some of them also propagate to the sample surface. Stacking faults formed on the c-plane and prismatic plane occasionally were found. Some misorientation between the wings and seed was detected using Large Angle Convergent Beam Diffraction.
Date: January 5, 2006
Creator: Liliental-Weber, Z.; Ni, X. & Morkoc, H.
Partner: UNT Libraries Government Documents Department

Advanced characterization of twins using automated electron backscatter diffraction

Description: This paper describes results obtained using an automated, crystallographically-based technique for twin identification. The technique is based on the automated collection of spatially specific orientation measurements by electron backscatter diffraction (EBSD) in the scanning electron microscope (SEM). The key features of the analysis are identification of potential twin boundaries by their misorientation character, identification of the distinct boundary planes among the symmetrically equivalent candidates, and validation of these boundaries through comparison with the boundary and twin plane traces in the sample cross section. Results on the application of this technique to deformation twins in zirconium are analyzed for the effect of twin type and amount and sense of uniaxial deformation. The accumulation of strain tends to increase the misorientation deviation at least to the degree of the trace deviation compared with recrystallization twins in nickel. In addition to the results on characterizing the twin character, results on extending the twin analysis to automated identification of parent and daughter material for structures exhibiting twin deformation are reported as well.
Date: January 1, 2002
Creator: Wright, S. I. (Stuart I.); Bingert, J. F. (John F.); Mason, T. A. (Thomas A.) & Larson, R. J. (Ryan J.)
Partner: UNT Libraries Government Documents Department

Structural Defects in Laterally Overgrown GaN Layers Grown onNon-polar Substrates

Description: Transmission electron microscopy was used to study defects in lateral epitaxial layers of GaN which were overgrown on a template of a-plane (11{und 2}0) GaN grown on (1{und 1}02) r-plane Al2O3. A high density of basal stacking faults is formed in these layers because the c-planes of wurtzite structure are arranged along the growth direction. Density of these faults is decreasing at least by two orders of magnitude lower in the wings compared to the seed areas. Prismatic stacking faults and threading dislocations are also observed, but their densities drastically decrease in the wings. The wings grow with opposite polarities and the Ga-wing width is at least 6 times larger than N-wing and coalescence is rather difficult. Some tilt and twist was detected using Large Angle Convergent Beam Electron Diffraction.
Date: February 14, 2007
Creator: Liliental-Weber, Z.; Ni, X. & Morkoc, H.
Partner: UNT Libraries Government Documents Department

Three-fold diffraction symmetry in epitaxial graphene and the SiC substrate

Description: The crystallographic symmetries and spatial distribution of stacking domains in graphene films on 6H-SiC(0001) have been studied by low energy electron diffraction (LEED) and dark field imaging in a low energy electron microscope (LEEM). We find that the graphene diffraction spots from 2 and 3 atomic layers of graphene have 3-fold symmetry consistent with AB (Bernal or rhombohedral) stacking of the layers. On the contrary, graphene diffraction spots from the buffer layer and monolayer graphene have apparent 6-fold symmetry, although the 3-fold nature of the satellite spots indicates a more complex periodicity in the graphene sheets.
Date: December 10, 2009
Creator: Siegel, D A; Zhou, S Y; El Gabaly, F; Schmid, A K; McCarty, K F & Lanzara, A
Partner: UNT Libraries Government Documents Department

Effect of NiO spin orientation on the magnetic anisotropy of the Fe film in epitaxially grown Fe/NiO/Ag(001) and Fe/NiO/MgO(001)

Description: Single crystalline Fe/NiO bilayers were epitaxially grown on Ag(001) and on MgO(001), and investigated by Low Energy Electron Diffraction (LEED), Magneto-Optic Kerr Effect (MOKE), and X-ray Magnetic Linear Dichroism (XMLD). We find that while the Fe film has an in-plane magnetization in both Fe/NiO/Ag(001) and Fe/NiO/MgO(001) systems, the NiO spin orientation changes from in-plane direction in Fe/NiO/Ag(001) to out-of-plane direction in Fe/NiO/MgO(001). These two different NiO spin orientations generate remarkable different effects that the NiO induced magnetic anisotropy in the Fe film is much greater in Fe/NiO/Ag(001) than in Fe/NiO/MgO(001). XMLD measurement shows that the much greater magnetic anisotropy in Fe/NiO/Ag(001) is due to a 90{sup o}-coupling between the in-plane NiO spins and the in-plane Fe spins.
Date: February 10, 2010
Creator: Kim, W.; Jin, E.; Wu, J.; Park, J.; Arenholz, E.; Scholl, A. et al.
Partner: UNT Libraries Government Documents Department

Quantifying uncertainty from material inhomogeneity.

Description: Most engineering materials are inherently inhomogeneous in their processing, internal structure, properties, and performance. Their properties are therefore statistical rather than deterministic. These inhomogeneities manifest across multiple length and time scales, leading to variabilities, i.e. statistical distributions, that are necessary to accurately describe each stage in the process-structure-properties hierarchy, and are ultimately the primary source of uncertainty in performance of the material and component. When localized events are responsible for component failure, or when component dimensions are on the order of microstructural features, this uncertainty is particularly important. For ultra-high reliability applications, the uncertainty is compounded by a lack of data describing the extremely rare events. Hands-on testing alone cannot supply sufficient data for this purpose. To date, there is no robust or coherent method to quantify this uncertainty so that it can be used in a predictive manner at the component length scale. The research presented in this report begins to address this lack of capability through a systematic study of the effects of microstructure on the strain concentration at a hole. To achieve the strain concentration, small circular holes (approximately 100 {micro}m in diameter) were machined into brass tensile specimens using a femto-second laser. The brass was annealed at 450 C, 600 C, and 800 C to produce three hole-to-grain size ratios of approximately 7, 1, and 1/7. Electron backscatter diffraction experiments were used to guide the construction of digital microstructures for finite element simulations of uniaxial tension. Digital image correlation experiments were used to qualitatively validate the numerical simulations. The simulations were performed iteratively to generate statistics describing the distribution of plastic strain at the hole in varying microstructural environments. In both the experiments and simulations, the deformation behavior was found to depend strongly on the character of the nearby microstructure.
Date: September 1, 2009
Creator: Battaile, Corbett Chandler; Emery, John M.; Brewer, Luke N. & Boyce, Brad Lee
Partner: UNT Libraries Government Documents Department

RHEED studies of Ag/Si(111) growth at low temperatures

Description: This thesis showed that it is possible to achieve well ordered growth at low temperatures when chaing fluxes during the course of the deposition. It was also demonstrated that nucleation theory fails to predict or explain at least part of the results, in particular when deposition takes place at an initially low rate, with presumably a relatively low nucleation density, followed by a change to a high flux rate. This points to an inherent lack of nucleation theory; alternative explanations are presented based on flux-independent growth as reported by Roos (Surf. Sci. 302 (1994) 37).
Date: January 2, 1996
Creator: Koehler, U.
Partner: UNT Libraries Government Documents Department

The Growth of Thin Epitaxial Copper Films on Ruthenium (0001)and Oxygen-Precovered Ruthenium (0001) as studied by x-rayphotoelectron diffraction. University of California, Davis, Department of Physics, Ph.D. Thesis

Description: In the first part of this dissertation, the variation of mean emitter depths with direction for core photoelectron emission from single crystals, including the effects of both isotropic inelastic scattering and single and multiple elastic scattering was theoretically studied. The mean emitter depth was found to vary by as much as &plusmn;30% with direction. In the second part of this dissertation, x-ray photoelectron diffraction (XPD) was used to study the structure and growth mechanisms of Cu films grown on a clean and an oxygen-precovered Ru(OOO1) surface. Experimental Cu 2p3/2 (E<sub>kin</sub> = 556 eV) and Ru 3d (E<sub>kin</sub> = 1205 eV) intensities were measured for Cu coverages from submonolayer up to several monolayer (ML) on the clean Ru(OOO1) surface. In addition, the O 1s (E<sub>kin</sub> = 958 eV) intensity was measured for Cu grown on oxygen precovered Ru(OOO1). These XPD intensities have been analyzed using single scattering cluster (SSC) and multiple scattering cluster (MSC) models. The first Cu layer has been found to grow pseudomorphically on the Ru(OOO1) surface in agreement with prior studies of the Cu/Ru(OOO 1) system. Thus, the initial growth is layer-by-layer. For higher coverages, XPD shows that the short-range structure of the Cu films is fcc Cu(l 11), but with significant interlayer relaxation (compared to bulk Cu(l 11)) that persists up to {ge}8 ML. When oxygen is preadsorbed on the Ru(OOO1) surface before Cu film growth (possibly to act as a surfactant promoting smoother growth), XPD shows that the first ~3 ML of Cu grow as 3-D islands. In addition, XPD shows that, during Cu growth, all of the oxygen "floats" on the CU surface, in contrast to prior studies which found that 30% of the oxygen remains at the Cu/Ru intetiace. XPD also indicates that the oxygen is highly disordered on the Cu overlayer surface. In ...
Date: June 1, 1997
Creator: Ruebush, Scott Daniel
Partner: UNT Libraries Government Documents Department