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L D Marks

Publications and source records attributed to L D Marks.

At least 19 recordsLinked to original sources
PubMed2006

Prospects for aberration corrected electron precession.

Recent developments in aberration control in the TEM have yielded a tremendous enhancement of direct imaging capabilities for studying atomic structures. However, aberration correction also has substantial benefits for achieving ultra-resolution in the TEM through reciprocal space techniques. Several tools are available that allow very accurate detection of the electron distribution in surfaces allowing precise atomic-scale characterization through statistical inversion techniques from diffraction data. The precession technique now appears to extend this capability to the bulk. This article covers some of the progress in this area and details requirements for a next-generation analytical diffraction instrument. An analysis of the contributions offered by aberration correction for precision electron precession is included.

Journal Article↗
PubMed2006

Precession electron diffraction 1: multislice simulation.

Precession electron diffraction (PED) is a method that considerably reduces dynamical effects in electron diffraction data, potentially enabling more straightforward solution of structures using the transmission electron microscope. This study focuses upon the characterization of PED data in an effort to improve the understanding of how experimental parameters affect it in order to predict favorable conditions. A method for generating simulated PED data by the multislice method is presented and tested. Data simulated for a wide range of experimental parameters are analyzed and compared to experimental data for the (Ga,In)(2)SnO(4) (GITO) and ZSM-5 zeolite (MFI) systems. Intensity deviations between normalized simulated and kinematical data sets, which are bipolar for dynamical diffraction data, become unipolar for PED data. Three-dimensional difference plots between PED and kinematical data sets show that PED data are most kinematical for small thicknesses, and as thickness increases deviations are minimized by increasing the precession cone semi-angle phi. Lorentz geometry and multibeam dynamical effects explain why the largest deviations cluster about the transmitted beam, and one-dimensional diffraction is pointed out as a strong mechanism for deviation along systematic rows. R factors for the experimental data sets are calculated, demonstrating that PED data are less sensitive to thickness variation. This error metric was also used to determine the experimental specimen thickness. R(1) (unrefined) was found to be about 12 and 15% for GITO and MFI, respectively.

Computer Simulation↗
PubMed2006

Theoretical structure factors for selected oxides and their effects in high-resolution electron-microscope (HREM) images.

A reasonably detailed analysis of the effects of charge redistribution on both X-ray and electron structure factors as well as for high-resolution electron-microscope images are presented for a series of light-element oxides. The charge redistribution leads to differences of 2-3% for the X-ray structure factors and 5-7% for electron structure factors in the 0-0.5 A(-1) region. There are detectable changes in images of about 10% of the contrast, somewhat dependent upon the alignment of atom columns, specimen thickness and defocus. These studies suggest that charge redistribution may be detectable using a Cc-limited aberration-corrected microscope with a specimen thickness of about 50 A.

Journal Article↗
PubMed2005

Rapid structure determination of a metal oxide from pseudo-kinematical electron diffraction data.

The electron precession diffraction technique is employed to provide quasi-kinematical data for determination of atom positions in the (Ga,In)2SnO5m-phase. Precession data are compared with conventional diffraction data captured under identical conditions and show a distinct superiority because they exhibit kinematical characteristics in the structure-defining reflections. Precessed data are not usable within a kinematical interpretation in all cases, and a simple basis is presented for omission of errant reflections to improve adherence to kinematical behavior. A second approach is demonstrated where intensities are used with direct methods instead of amplitudes, enhancing the contrast between strong and weak beams. The unrefined atom positions recovered a priori via direct methods are consistent between the two approaches and fall on average within 4 picometers of positions in the previously refined structure.

Journal Article↗
PubMed2005

EDM 1.0: electron direct methods.

A computer program designed to provide a number of quantitative analysis tools for high-resolution imaging and electron diffraction data is described. The program includes basic image manipulation, both real space and reciprocal space image processing, Wiener-filtering, symmetry averaging, methods for quantification of electron diffraction patterns and two-dimensional direct methods. The program consists of a number of sub-programs written in a combination of C++, C and Fortran. It can be downloaded either as GNU source code or as binaries and has been compiled and verified on a wide range of platforms, both Unix based and PC's. Elements of the design philosophy as well as future possible extensions are described.

Image Processing, Computer-Assisted↗
PubMed2004

Direct observation of charge transfer at a MgO(111) surface.

Transmission electron diffraction (TED) combined with direct methods have been used to study the sqrt[3]xsqrt[3]R30 degrees reconstruction on the polar (111) surface of MgO and refine the valence charge distribution. The surface is nonstoichiometric and is terminated by a single magnesium atom. A charge-compensating electron hole is localized in the next oxygen layer and there is a nominal charge transfer from the oxygen atoms to the top magnesium atom. The partial charges that we obtain for the surface atoms are in reasonable agreement with empirical bond-valence estimations.

Journal Article↗
PubMed2004

Surface crystallography via electron microscopy.

The study of atomic structure of surfaces is fundamental to the understanding of electronic, chemical and mechanical properties of surfaces and numerous techniques have been developed to this end. Transmission Electron Microscopy techniques, namely transmission electron imaging (TEM) and diffraction (TED), due to their ability to provide structural information at very high resolutions, have emerged as powerful tools for the study of surface structure. In this article we review the experimental method alongside the various post-processing routines that are necessary to extract vital structural information from experimental data.

Journal Article↗
PubMed2001

Statistical dynamical direct methods. II. The three-phase structure invariant.

The triplet distribution used for kinematical diffraction is extended to the complex case appropriate for dynamical transmission electron diffraction. It is demonstrated that this gives good results if the distributions are handled statistically rather than relying upon single triplet relationships. As a consequence, conventional statistical direct methods will yield a reasonable approximation to the effective dynamical potential for thicknesses when kinematical theory is not appropriate. The recovered effective dynamical potential may be similar to the kinematical potential, but does not have to be and in general will not be.

Journal Article↗
PubMed2001

Subsurface dimerization in III-V semiconductor (001) surfaces.

We present the atomic structure of the c(8 x 2) reconstructions of InSb-, InAs-, and GaAs-(001) surfaces as determined by surface x-ray diffraction using direct methods. Contrary to common belief, group III dimers are not prominent on the surface, instead subsurface dimerization of group III atoms takes place in the second bilayer, accompanied by a major rearrangement of the surface atoms above the dimers to form linear arrays. By varying the occupancies of four surface sites the (001)-c(8 x 2) reconstructions of III-V semiconductors can be described in a unified model.

Journal Article↗
PubMed2001

Single-walled BN nanostructures.

We describe in situ synthesis and characterization of single-walled BN nanotubes terminated by fullerenelike structures using electron-cyclotron resonance nitrogen and electron beam boron sources onto polycrystalline tungsten substrates. Detailed comparisons of experimental high-resolution electron microscopy images and simulations based upon molecular models show a dominance of kinks and bends involving fourfold and eightfold ring structures as against fivefold or sevenfold which have been found with carbon. Analysis of the structures as a function of film thickness indicates that they are growing by addition of atoms to the exposed ends of single sheets, not at the substrate-nanostructure interface.

Journal Article↗
PubMed2001

Lensless imaging: a workshop on "new approaches to the phase problem for non-periodic objects.".

Over the past two decades, theoretical tools and algorithms have been developed which, under not very restrictive conditions, allow the reconstruction of images from diffraction patterns of non-periodic objects. These methods promise lensless imaging for any radiation, free of aberrations, with wavelength-limited resolution. Recent experimental successes prompted an interdisciplinary international workshop on this topic at the Lawrence Berkeley National Laboratory, Berkeley, CA, USA, on May 17-19 2001, supported by the DOE, LBL and the Advanced Light Source. Our aim was to review the field, and to stimulate communication between the Signal Recovery, Coherent Optics, X-ray, Electron Microscopy and Applied Mathematics communities. The results are summarized in this paper and on the web. A second workshop is planned for 2003.

Journal Article↗
PubMed1999

Electron crystallography in surface structure analysis.

Surface structure analysis is an important area of research, and in recent years notable advances have been made in this field, both in improved techniques for studying surfaces and in methods of analyzing them. This review aims to summarize the techniques available, particularly those relating to electron microscopy, and also to outline one of the newest areas of development, the application of direct methods to surface structure analysis.

Algorithms↗
PubMed1998

In situ growth and characterization of ultrahard thin films.

Results concerning the operation of a new ultrahigh vacuum (UHV) ion-beam assisted deposition system for in situ investigation of ultrahard thin films are reported. A molecular beam epitaxy (MBE) chamber attached to a surface science system (SPEAR) has been redesigned for deposition of cubic-boron nitride thin films. In situ thin film processing capability of the overall system is demonstrated in preliminary studies on deposition of boron nitride films on clean Si (001) substrates, combining thin film growth with electron microscopy and surface characterization, all in situ.

Boron Compounds↗
PubMed1995

Admitting mistakes.

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Diagnostic Errors↗
PubMed1992

Developments in the dynamical theory of high energy electron reflection.

High energy electron reflection (HEER) is an important technique in surface science and uses the information carried by high energy electrons reflected from surfaces to study surface structures and surface electronic states. With the development of reflection high energy electron diffraction (RHEED), high energy electron microscopy (REM), and high energy electron energy loss spectroscopy (EEL) in surface science, the usefulness of HEER has been widely recognized and demonstrated. However, a stationary dynamical solution for an arbitrary surface for HEER has not been obtained yet. In this paper, some developments in understanding the dynamical theory of HEER, particularly in recent years, are reviewed: 1. The introduction of the concept of current flow for a semi-infinite crystal model has removed the confusion around the wave points in the "band gap." 2. The consistency between the Bloch wave and multislice in the Bragg case has verified the validity of the argument of current flow and led to the emergence of the BMCR method (Bloch wave + Multislice Combined for Reflection). 3. The failure of the Bloch Wave-Only solution (the BWO solution) on Au (110) surfaces in the Bragg case revealed by the BMCR method implies that previous BWO calculations in the Bragg case might be at fault. 4. The 2-D dependence of the electron wave fields and Picard iteration-like character of multislice calculation in the Bragg case has led to the emergence of an Edge Patching method in Multislice-mode-Only (the EPMO method). The new method yields an infinitely convergent stationary dynamical solution for an arbitrary surface.

Crystallization↗
PubMed1991

Phase II trial of esorubicin (4'deoxydoxorubicin, DxDx) in patients with small cell lung cancer.

Esorubicin (4'-deoxydoxorubicin or DxDx) is an analog of doxorubicin with preclinical antitumor activity and no significant cardiotoxicity in model systems. Eleven patients with small cell lung cancer who had previously received chemotherapy were given esorubicin (25 mg/m2 intravenously) every 3 weeks. No major objective responses were observed (95% confidence limits: 0-25%). Nine of the 11 patients had grade 2 or greater toxicity, with 55% of the patients experiencing grade 3 or greater toxicity [myelosuppression (4/11), anemia (2/11) or elevated liver enzymes (3/11)]. Nausea, vomiting, alopecia and intravenous site phlebitis were also seen. Three of the 11 patients received 3 or more course of esorubicin without evidence of significant cardiotoxicity. At this dose and schedule, no significant antitumor response were seen in this population of patients. Esorubicin, with this low response rate and significant toxicity, appears to be of limited utility in this disease.

Aged↗
PubMed1991

Phase II trial of amonafide in patients with stage III and IV non-small-cell lung cancer.

Amonafide (benzisoquinolinedione, nafidimide, NSC 308847) is an anticancer agent that functions as a DNA intercalator. Sixteen patients with stage III or IV non-small-cell lung cancer who had not previously received chemotherapy were given amonafide at an initial dose of 300 mg/m2 i.v. daily for 5 days every 21 days. No major objective responses were observed among the 14 patients adequately treated (95% confidence limits 0-20%). Local reactions at the injection site or phlebitis were seen in 14 of the 16 patients. Leukopenia (44%), nausea or vomiting (38%), and thrombocytopenia and rash (each 25%) were also noted. With the low response rate and the toxicity observed, amonafide at this dosage and schedule has limited use in the treatment of non-small-cell lung cancer.

Adenine↗