General theory of diffraction
|
|
- John Waters
- 6 years ago
- Views:
Transcription
1 General theory of diffraction X-rays scatter off the charge density (r), neutrons scatter off the spin density. Coherent scattering (diffraction) creates the Fourier transform of (r) from real to reciprocal space: Ã(k) = (r) e i (k k 0 ) r d 3 r Ã= Ã e i I= Ã 2 = measured intensity k k 0 = scattering vector = G hkl for periodic structures k 0 k (r) Real space I(k) Reciprocal space Fourier transform from r to k: Inverse FT from k to r: Ã(k) = A(r) e i kr d 3 r A(k) = (2 ) 3 Ã(k) e +i kr d 3 k
2 Structure determination by diffraction The diffraction pattern is determined by three considerations: 1) The Bragg condition (= energy and momentum conservation) determines the position of the diffraction spots in k-space. It originates from the whole crystal lattice. 2) The structure factor describes the intensity modulation of the diffraction spots by the atoms inside the unit cell. 3) The atomic scattering factor describes the diffraction at an individual atom. This is in tune with the mantra that large objects in real space correspond to small objects in k-space. 1) represents the largest possible object in real space (the infinite lattice), and it becomes the smallest possible object in k-space (a point). 2) represents a medium-sized object (the unit cell), and 3) the smallest object (an atom). They affect increasingly larger portions of k-space.
3 Structure factor The structure factor S hkl is given by: S hkl = f exp[-i G hkl r ] = f exp[-i 2 (h u +k v +l w )] where r is the position of atom number inside the unit cell and f its atomic scattering factor. r can be expressed in terms of the real space lattice vectors by the indices u,v,w just like G is expressed by the Miller indices h,k,l. The structure factor leads to the extinction of certain spots, i.e. those for which there is destructive interference between two equal atoms in the unit cell. For example, the spot for G 100 vanishes for the fcc lattice, since the (100) planes through the corner atoms interfere destructively with those through the face-centered atoms. G 200 is the first Bragg spot on the x-axis.
4 Atomic scattering factor The atomic scattering factor f is given by: f = (r) exp[-i G hkl r] d 3 r where is the charge density of a single atom inside the unit cell. The integral over the charge density of an atom is proportional to the number of electrons, i.e. the atomic number Z. Furthermore, the diffraction intensity is given by the square of the structure factor. That leads to a strong increase of the diffraction intensity for heavy atoms with high Z.
5 Experimental methods for structure analysis Energy and momentum conservation impose four constraints in three-dimensional diffraction. They cannot all be fulfilled by adjusting the three k components of the diffracted wave (for an arbitrary incident wave). Something else has to give. Either the energy or the direction of the incident wave needs to be flexible. This can be accomplished in several ways: 1) Incident x-rays with a continuous energy spectrum (Laue). 2) Rotate the crystal (popular with protein crystallography). 3) Use polycrystalline samples (powder diffraction, Debye-Scherrer).
6 Laue diffraction pattern Laue diffraction pattern of NaCl taken with neutrons. See a projection of k-space.
7 Horizontal scan across the rings for Si powder. The (100), (200) reflections are forbidden in the diamond structure, since their structure factor vanishes. Powder diffraction pattern Observe rings around the incoming and outgoing beam. (Cylindrical film unfolded.) Extra diffraction rings visible for the ordered Cu 3 Au alloy.
8 The phase problem Mathematically, the structure (= charge density) in real space can be obtained from the amplitude of the diffracted wave in k-space by an inverse Fourier transform from k to r. However, the amplitude is a complex number of the form A = A e i, which contains the phase. Only the intensity I= A 2 is measured, not the phase. Crystallographers have developed many tricks to retrieve the phase. For example, sulfur can be replaced by selenium in proteins, which is chemically similar. But selenium diffracts X-rays much more when the X-ray energy is tuned to be in resonance with an inner shell excitation ( anomalous scattering ). The difference between diffraction patterns on- and off-resonance provides the phase information. Simple crystal structures can be solved by calculating the diffraction pattern for trial structures containing adjustable parameters. Those are obtained by a least square fit to the diffraction intensities.
9 Reconstruction of a single nano-object (ptychography) With the recent advent of laser-like X-ray sources there has been great interest in Fourier-transforming the diffraction pattern of a single object, such as a protein molecule or a virus (see next slide). There is a theorem that allows the reconstruction of the phase if the object is located in a well-defined finite aperture, with no diffracting objects outside. The idea is as follows: 1) Start with arbitrary phase in k-space and perform an inverse Fourier transform from k to r. A phase error will produce a finite amplitude outside the aperture. 2) Correct the error by setting the amplitude outside the aperture to zero. 3) Perform a Fourier transform from r to k. If the resulting diffraction intensity disagrees with the data, adjust the amplitude A in k-space and go back to 1). This loop needs to be iterated many times, but it converges eventually to the correct amplitude and phase in both r- and k-space. Such a method allows (in principle) lensless imaging with atomic resolution, which is limited only by the wavelength of the X-rays.
10 Diffraction from a single object X-ray diffraction pattern of a single Mimivirus particle imaged at the LCLS at Stanford, which produces laser-like X-rays. The X-ray pulse stripped most of the electrons from the atoms, leading to a Coulomb explosion. But it was so short (< 50 femtoseconds) that the atoms did not have time to move until after this image was obtained ( diffract and destroy ). Combining thousands of such images with various orientations of the virus (tomography) provides a three-dimensional image.
de Broglie Waves h p de Broglie argued Light exhibits both wave and particle properties
de Broglie argued de Broglie Waves Light exhibits both wave and particle properties Wave interference, diffraction Particle photoelectric effect, Compton effect Then matter (particles) should exhibit both
More informationHandout 7 Reciprocal Space
Handout 7 Reciprocal Space Useful concepts for the analysis of diffraction data http://homepages.utoledo.edu/clind/ Concepts versus reality Reflection from lattice planes is just a concept that helps us
More informationSOLID STATE 18. Reciprocal Space
SOLID STATE 8 Reciprocal Space Wave vectors and the concept of K-space can simplify the explanation of several properties of the solid state. They will be introduced to provide more information on diffraction
More informationCrystal Structure SOLID STATE PHYSICS. Lecture 5. A.H. Harker. thelecture thenextlecture. Physics and Astronomy UCL
Crystal Structure thelecture thenextlecture SOLID STATE PHYSICS Lecture 5 A.H. Harker Physics and Astronomy UCL Structure & Diffraction Crystal Diffraction (continued) 2.4 Experimental Methods Notes: examples
More information4. Other diffraction techniques
4. Other diffraction techniques 4.1 Reflection High Energy Electron Diffraction (RHEED) Setup: - Grazing-incidence high energy electron beam (3-5 kev: MEED,
More informationX-ray diffraction is a non-invasive method for determining many types of
Chapter X-ray Diffraction.1 Introduction X-ray diffraction is a non-invasive method for determining many types of structural features in both crystalline and amorphous materials. In the case of single
More informationExperimental Determination of Crystal Structure
Experimental Determination of Crystal Structure Branislav K. Nikolić Department of Physics and Astronomy, University of Delaware, U.S.A. PHYS 624: Introduction to Solid State Physics http://www.physics.udel.edu/~bnikolic/teaching/phys624/phys624.html
More informationX-ray analysis. 1. Basic crystallography 2. Basic diffraction physics 3. Experimental methods
X-ray analysis 1. Basic crystallography 2. Basic diffraction physics 3. Experimental methods Introduction Noble prizes associated with X-ray diffraction 1901 W. C. Roentgen (Physics) for the discovery
More information3.012 Structure An Introduction to X-ray Diffraction
3.012 Structure An Introduction to X-ray Diffraction This handout summarizes some topics that are important for understanding x-ray diffraction. The following references provide a thorough explanation
More informationMethoden moderner Röntgenphysik I. Coherence based techniques II. Christian Gutt DESY, Hamburg
Methoden moderner Röntgenphysik I Coherence based techniques II Christian Gutt DESY Hamburg christian.gutt@desy.de 8. January 009 Outline 18.1. 008 Introduction to Coherence 8.01. 009 Structure determination
More informationSetting The motor that rotates the sample about an axis normal to the diffraction plane is called (or ).
X-Ray Diffraction X-ray diffraction geometry A simple X-ray diffraction (XRD) experiment might be set up as shown below. We need a parallel X-ray source, which is usually an X-ray tube in a fixed position
More informationCrystal planes. Neutrons: magnetic moment - interacts with magnetic materials or nuclei of non-magnetic materials. (in Å)
Crystallography: neutron, electron, and X-ray scattering from periodic lattice, scattering of waves by periodic structures, Miller indices, reciprocal space, Ewald construction. Diffraction: Specular,
More informationScattering Lecture. February 24, 2014
Scattering Lecture February 24, 2014 Structure Determination by Scattering Waves of radiation scattered by different objects interfere to give rise to an observable pattern! The wavelength needs to close
More informationScattering by two Electrons
Scattering by two Electrons p = -r k in k in p r e 2 q k in /λ θ θ k out /λ S q = r k out p + q = r (k out - k in ) e 1 Phase difference of wave 2 with respect to wave 1: 2π λ (k out - k in ) r= 2π S r
More informationAn Introduction to Diffraction and Scattering. School of Chemistry The University of Sydney
An Introduction to Diffraction and Scattering Brendan J. Kennedy School of Chemistry The University of Sydney 1) Strong forces 2) Weak forces Types of Forces 3) Electromagnetic forces 4) Gravity Types
More informationFourier Syntheses, Analyses, and Transforms
Fourier Syntheses, Analyses, and Transforms http://homepages.utoledo.edu/clind/ The electron density The electron density in a crystal can be described as a periodic function - same contents in each unit
More informationChapter 2. X-ray X. Diffraction and Reciprocal Lattice. Scattering from Lattices
Chapter. X-ray X Diffraction and Reciprocal Lattice Diffraction of waves by crystals Reciprocal Lattice Diffraction of X-rays Powder diffraction Single crystal X-ray diffraction Scattering from Lattices
More informationX-ray, Neutron and e-beam scattering
X-ray, Neutron and e-beam scattering Introduction Why scattering? Diffraction basics Neutrons and x-rays Techniques Direct and reciprocal space Single crystals Powders CaFe 2 As 2 an example What is the
More informationScattering and Diffraction
Scattering and Diffraction Andreas Kreyssig, Alan Goldman, Rob McQueeney Ames Laboratory Iowa State University All rights reserved, 2018. Atomic scale structure - crystals Crystalline materials... atoms
More informationCS273: Algorithms for Structure Handout # 13 and Motion in Biology Stanford University Tuesday, 11 May 2003
CS273: Algorithms for Structure Handout # 13 and Motion in Biology Stanford University Tuesday, 11 May 2003 Lecture #13: 11 May 2004 Topics: Protein Structure Determination Scribe: Minli Zhu We acknowledge
More informationProtein Crystallography
Protein Crystallography Part II Tim Grüne Dept. of Structural Chemistry Prof. G. Sheldrick University of Göttingen http://shelx.uni-ac.gwdg.de tg@shelx.uni-ac.gwdg.de Overview The Reciprocal Lattice The
More informationQuantum Condensed Matter Physics Lecture 5
Quantum Condensed Matter Physics Lecture 5 detector sample X-ray source monochromator David Ritchie http://www.sp.phy.cam.ac.uk/drp2/home QCMP Lent/Easter 2019 5.1 Quantum Condensed Matter Physics 1. Classical
More informationBasic Crystallography Part 1. Theory and Practice of X-ray Crystal Structure Determination
Basic Crystallography Part 1 Theory and Practice of X-ray Crystal Structure Determination We have a crystal How do we get there? we want a structure! The Unit Cell Concept Ralph Krätzner Unit Cell Description
More informationRoger Johnson Structure and Dynamics: X-ray Diffraction Lecture 6
6.1. Summary In this Lecture we cover the theory of x-ray diffraction, which gives direct information about the atomic structure of crystals. In these experiments, the wavelength of the incident beam must
More information2. Diffraction as a means to determine crystal structure
2. Diffraction as a means to determine crystal structure Recall de Broglie matter waves: He atoms: [E (ev)] 1/2 = 0.14 / (Å) E 1Å = 0.0196 ev Neutrons: [E (ev)] 1/2 = 0.28 / (Å) E 1Å = 0.0784 ev Electrons:
More informationOverview of scattering, diffraction & imaging in the TEM
Overview of scattering, diffraction & imaging in the TEM Eric A. Stach Purdue University Scattering Electrons, photons, neutrons Radiation Elastic Mean Free Path (Å)( Absorption Length (Å)( Minimum Probe
More informationPhysics with Neutrons I, WS 2015/2016. Lecture 11, MLZ is a cooperation between:
Physics with Neutrons I, WS 2015/2016 Lecture 11, 11.1.2016 MLZ is a cooperation between: Organization Exam (after winter term) Registration: via TUM-Online between 16.11.2015 15.1.2015 Email: sebastian.muehlbauer@frm2.tum.de
More informationCrystals, X-rays and Proteins
Crystals, X-rays and Proteins Comprehensive Protein Crystallography Dennis Sherwood MA (Hons), MPhil, PhD Jon Cooper BA (Hons), PhD OXFORD UNIVERSITY PRESS Contents List of symbols xiv PART I FUNDAMENTALS
More informationDIFFRACTION PHYSICS THIRD REVISED EDITION JOHN M. COWLEY. Regents' Professor enzeritus Arizona State University
DIFFRACTION PHYSICS THIRD REVISED EDITION JOHN M. COWLEY Regents' Professor enzeritus Arizona State University 1995 ELSEVIER Amsterdam Lausanne New York Oxford Shannon Tokyo CONTENTS Preface to the first
More information3.012 Fund of Mat Sci: Structure Lecture 18
3.012 Fund of Mat Sci: Structure Lecture 18 X-RAYS AT WORK An X-ray diffraction image for the protein myoglobin. Source: Wikipedia. Model of helical domains in myoglobin. Image courtesy of Magnus Manske
More informationIntroduction to crystallography The unitcell The resiprocal space and unitcell Braggs law Structure factor F hkl and atomic scattering factor f zθ
Introduction to crystallography The unitcell The resiprocal space and unitcell Braggs law Structure factor F hkl and atomic scattering factor f zθ Introduction to crystallography We divide materials into
More information2. Diffraction as a means to determine crystal structure
Page 1 of 22 2. Diffraction as a means to determine crystal structure Recall de Broglie matter waves: 2 p h E = where p = 2m λ h 1 E = ( ) 2m λ hc E = hυ = ( photons) λ ( matter wave) He atoms: [E (ev)]
More informationPART 1 Introduction to Theory of Solids
Elsevier UK Job code: MIOC Ch01-I044647 9-3-2007 3:03p.m. Page:1 Trim:165 240MM TS: Integra, India PART 1 Introduction to Theory of Solids Elsevier UK Job code: MIOC Ch01-I044647 9-3-2007 3:03p.m. Page:2
More informationX-ray Diffraction. Diffraction. X-ray Generation. X-ray Generation. X-ray Generation. X-ray Spectrum from Tube
X-ray Diffraction Mineral identification Mode analysis Structure Studies X-ray Generation X-ray tube (sealed) Pure metal target (Cu) Electrons remover inner-shell electrons from target. Other electrons
More informationStructural characterization. Part 1
Structural characterization Part 1 Experimental methods X-ray diffraction Electron diffraction Neutron diffraction Light diffraction EXAFS-Extended X- ray absorption fine structure XANES-X-ray absorption
More informationRoad map (Where are we headed?)
Road map (Where are we headed?) oal: Fairly high level understanding of carrier transport and optical transitions in semiconductors Necessary Ingredients Crystal Structure Lattice Vibrations Free Electron
More informationProtein crystallography. Garry Taylor
Protein crystallography Garry Taylor X-ray Crystallography - the Basics Grow crystals Collect X-ray data Determine phases Calculate ρ-map Interpret map Refine coordinates Do the biology. Nitrogen at -180
More informationDiffraction. X-ray diffraction
Diffraction Definition (from Cambridge Advanced Learner s Dictionary ): - diffraction noun [U] SPECIALIZED (a pattern caused by) a change in the direction of light, water or sound waves - diffract verb
More informationAnalytical Methods for Materials
Analytical Methods for Materials Lesson 15 Reciprocal Lattices and Their Roles in Diffraction Studies Suggested Reading Chs. 2 and 6 in Tilley, Crystals and Crystal Structures, Wiley (2006) Ch. 6 M. DeGraef
More informationUltrafast Electron Crystallography: Principles and Dynamics
15 Chapter 2 Ultrafast Electron Crystallography: Principles and Dynamics Part of this chapter was adapted from D.-S. Yang, N. Gedik, A. H. Zewail, J. Phys. Chem. C 111, 4889 (2007). 16 Introduction The
More informationShort Sample Solutions to the Sample Exam for (3rd Year Course 6) Hilary Term 2011
Short Sample Solutions to the Sample Exam for (3rd Year Course 6) Hilary Term 0. [4] A Lattice is an infinite set of points in space where the environment of any given point is identical to the enivironment
More informationV 11: Electron Diffraction
Martin-Luther-University Halle-Wittenberg Institute of Physics Advanced Practical Lab Course V 11: Electron Diffraction An electron beam conditioned by an electron optical system is diffracted by a polycrystalline,
More informationKeble College - Hilary 2012 Section VI: Condensed matter physics Tutorial 2 - Lattices and scattering
Tomi Johnson Keble College - Hilary 2012 Section VI: Condensed matter physics Tutorial 2 - Lattices and scattering Please leave your work in the Clarendon laboratory s J pigeon hole by 5pm on Monday of
More informationSolid State Physics 460- Lecture 5 Diffraction and the Reciprocal Lattice Continued (Kittel Ch. 2)
Solid State Physics 460- Lecture 5 Diffraction and the Reciprocal Lattice Continued (Kittel Ch. 2) Ewald Construction 2θ k out k in G Physics 460 F 2006 Lect 5 1 Recall from previous lectures Definition
More informationNeutron and x-ray spectroscopy
Neutron and x-ray spectroscopy B. Keimer Max-Planck-Institute for Solid State Research outline 1. self-contained introduction neutron scattering and spectroscopy x-ray scattering and spectroscopy 2. application
More informationNANO 703-Notes. Chapter 21: Using CBED
1 Chapter 21: Using CBED CBED features Common features in a CBED pattern can be seen in the example below. Excess and defect ZOLZ Kikuchi lines are fairly strong and broad. (Defect) HOLZ (Bragg) lines
More informationPROBING CRYSTAL STRUCTURE
PROBING CRYSTAL STRUCTURE Andrew Baczewski PHY 491, October 10th, 2011 OVERVIEW First - we ll briefly discuss Friday s quiz. Today, we will answer the following questions: How do we experimentally probe
More informationLecture 23 X-Ray & UV Techniques
Lecture 23 X-Ray & UV Techniques Schroder: Chapter 11.3 1/50 Announcements Homework 6/6: Will be online on later today. Due Wednesday June 6th at 10:00am. I will return it at the final exam (14 th June).
More informationCrystallography Reading: Warren, Chapters 2.1, 2.2, 2.6, 8 Surface symmetry: Can be a clue to underlying structure. Examples:
Crystallography Reading: Warren, Chapters 2.1, 2.2, 2.6, 8 Surface symmetry: Can be a clue to underlying structure. Examples: Snow (SnowCrystals.com) Bismuth (Bao, Kavanagh, APL 98 66103 (2005) Hexagonal,
More informationSummary Chapter 2: Wave diffraction and the reciprocal lattice.
Summary Chapter : Wave diffraction and the reciprocal lattice. In chapter we discussed crystal diffraction and introduced the reciprocal lattice. Since crystal have a translation symmetry as discussed
More informationCrystal Structure Determination II
Crystal Structure Determination II Dr. Falak Sher Pakistan Institute of Engineering and Applied Sciences 09/10/2010 Diffraction Intensities The integrated intensity, I (hkl) (peak area) of each powder
More informationWhy do We Trust X-ray Crystallography?
Why do We Trust X-ray Crystallography? Andrew D Bond All chemists know that X-ray crystallography is the gold standard characterisation technique: an X-ray crystal structure provides definitive proof of
More informationElectron Diffraction
Exp-3-Electron Diffraction.doc (TJR) Physics Department, University of Windsor Introduction 64-311 Laboratory Experiment 3 Electron Diffraction In 1924 de Broglie predicted that the wavelength of matter
More informationTransmission Electron Microscopy
L. Reimer H. Kohl Transmission Electron Microscopy Physics of Image Formation Fifth Edition el Springer Contents 1 Introduction... 1 1.1 Transmission Electron Microscopy... 1 1.1.1 Conventional Transmission
More informationPhysical Chemistry I. Crystal Structure
Physical Chemistry I Crystal Structure Crystal Structure Introduction Crystal Lattice Bravis Lattices Crytal Planes, Miller indices Distances between planes Diffraction patters Bragg s law X-ray radiation
More information6. X-ray Crystallography and Fourier Series
6. X-ray Crystallography and Fourier Series Most of the information that we have on protein structure comes from x-ray crystallography. The basic steps in finding a protein structure using this method
More informationX-ray Crystallography. Kalyan Das
X-ray Crystallography Kalyan Das Electromagnetic Spectrum NMR 10 um - 10 mm 700 to 10 4 nm 400 to 700 nm 10 to 400 nm 10-1 to 10 nm 10-4 to 10-1 nm X-ray radiation was discovered by Roentgen in 1895. X-rays
More informationX-rays. X-ray Radiography - absorption is a function of Z and density. X-ray crystallography. X-ray spectrometry
X-rays Wilhelm K. Roentgen (1845-1923) NP in Physics 1901 X-ray Radiography - absorption is a function of Z and density X-ray crystallography X-ray spectrometry X-rays Cu K α E = 8.05 kev λ = 1.541 Å Interaction
More informationX-Ray Scattering Studies of Thin Polymer Films
X-Ray Scattering Studies of Thin Polymer Films Introduction to Neutron and X-Ray Scattering Sunil K. Sinha UCSD/LANL Acknowledgements: Prof. R.Pynn( Indiana U.) Prof. M.Tolan (U. Dortmund) Wilhelm Conrad
More informationDetermining Protein Structure BIBC 100
Determining Protein Structure BIBC 100 Determining Protein Structure X-Ray Diffraction Interactions of x-rays with electrons in molecules in a crystal NMR- Nuclear Magnetic Resonance Interactions of magnetic
More informationPSD '18 -- Xray lecture 4. Laue conditions Fourier Transform The reciprocal lattice data collection
PSD '18 -- Xray lecture 4 Laue conditions Fourier Transform The reciprocal lattice data collection 1 Fourier Transform The Fourier Transform is a conversion of one space into another space with reciprocal
More informationSolid State Spectroscopy Problem Set 7
Solid State Spectroscopy Problem Set 7 Due date: June 29th, 2015 Problem 5.1 EXAFS Study of Mn/Fe substitution in Y(Mn 1-x Fe x ) 2 O 5 From article «EXAFS, XANES, and DFT study of the mixed-valence compound
More informationThe University of Hong Kong Department of Physics
The University of Hong Kong Department of Physics Physics Laboratory PHYS3551 Introductory Solid State Physics Experiment No. 3551-2: Electron and Optical Diffraction Name: University No: This experiment
More informationResolution: maximum limit of diffraction (asymmetric)
Resolution: maximum limit of diffraction (asymmetric) crystal Y X-ray source 2θ X direct beam tan 2θ = Y X d = resolution 2d sinθ = λ detector 1 Unit Cell: two vectors in plane of image c* Observe: b*
More informationFROM DIFFRACTION TO STRUCTURE
3.012 Fund of Mat Sci: Structure Lecture 19 FROM DIFFRACTION TO STRUCTURE Images removed for copyright reasons. 3-fold symmetry in silicon along the [111] direction. Forward (left) and backward (right)
More informationGEANT4 simulation of the 10 B-based Jalousie detector for neutron diffractometers
GEANT4 simulation of the 10 B-based Jalousie detector for neutron diffractometers Irina Stefanescu 1, R. Hall-Wilton 1, G. Kemmerling 2, M. Klein 3, C.J. Schmidt 3,4, W. Schweika 1,2 1 European Spallation
More information(Re-write, January 2011, from notes of S. C. Fain Jr., L. Sorensen, O. E. Vilches, J. Stoltenberg and D. B. Pengra, Version 1, preliminary)
Electron Diffraction (Re-write, January 011, from notes of S. C. Fain Jr., L. Sorensen, O. E. Vilches, J. Stoltenberg and D. B. Pengra, Version 1, preliminary) References: Any introductory physics text
More informationSurface Sensitivity & Surface Specificity
Surface Sensitivity & Surface Specificity The problems of sensitivity and detection limits are common to all forms of spectroscopy. In its simplest form, the question of sensitivity boils down to whether
More informationSolid State Physics Lecture 3 Diffraction and the Reciprocal Lattice (Kittel Ch. 2)
Solid State Physics 460 - Lecture 3 Diffraction and the Reciprocal Lattice (Kittel Ch. 2) Diffraction (Bragg Scattering) from a powder of crystallites - real example of image at right from http://www.uni-wuerzburg.de/mineralogie/crystal/teaching/pow.html
More informationImage definition evaluation functions for X-ray crystallography: A new perspective on the phase. problem. Hui LI*, Meng HE* and Ze ZHANG
Image definition evaluation functions for X-ray crystallography: A new perspective on the phase problem Hui LI*, Meng HE* and Ze ZHANG Beijing University of Technology, Beijing 100124, People s Republic
More informationThere and back again A short trip to Fourier Space. Janet Vonck 23 April 2014
There and back again A short trip to Fourier Space Janet Vonck 23 April 2014 Where can I find a Fourier Transform? Fourier Transforms are ubiquitous in structural biology: X-ray diffraction Spectroscopy
More informationE. K. A. ADVANCED PHYSICS LABORATORY PHYSICS 3081, 4051
E. K. A. ADVANCED PHYSICS LABORATORY PHYSICS 38, 45 ELECTRON DIFFRACTION Introduction This experiment, using a cathode ray tube, permits the first hand observation that electrons, which are usually though
More informationStructure analysis: Electron diffraction LEED TEM RHEED
Structure analysis: Electron diffraction LEED: Low Energy Electron Diffraction SPA-LEED: Spot Profile Analysis Low Energy Electron diffraction RHEED: Reflection High Energy Electron Diffraction TEM: Transmission
More informationCHAPTER 5 Wave Properties of Matter and Quantum Mechanics I
CHAPTER 5 Wave Properties of Matter and Quantum Mechanics I 5.1 X-Ray Scattering 5.2 De Broglie Waves 5.3 Electron Scattering 5.4 Wave Motion 5.5 Waves or Particles? 5.6 Uncertainty Principle 5.7 Probability,
More informationMaterials 286C/UCSB: Class VI Structure factors (continued), the phase problem, Patterson techniques and direct methods
Materials 286C/UCSB: Class VI Structure factors (continued), the phase problem, Patterson techniques and direct methods Ram Seshadri (seshadri@mrl.ucsb.edu) Structure factors The structure factor for a
More informationTransmission Electron Microscopy and Diffractometry of Materials
Brent Fultz James Howe Transmission Electron Microscopy and Diffractometry of Materials Fourth Edition ~Springer 1 1 Diffraction and the X-Ray Powder Diffractometer 1 1.1 Diffraction... 1 1.1.1 Introduction
More informationX-ray Diffraction. Interaction of Waves Reciprocal Lattice and Diffraction X-ray Scattering by Atoms The Integrated Intensity
X-ray Diraction Interaction o Waves Reciprocal Lattice and Diraction X-ray Scattering by Atoms The Integrated Intensity Basic Principles o Interaction o Waves Periodic waves characteristic: Frequency :
More informationFailures and successes of the free electron model
Failures and successes of the free electron model Temperature dependence on the electric conduc1vity j e = E = ne2 m electron gas electron- phonon coupling Drude s model predicts that σ is independent
More informationElastic and Inelastic Scattering in Electron Diffraction and Imaging
Elastic and Inelastic Scattering in Electron Diffraction and Imaging Contents Introduction Symbols and definitions Part A Diffraction and imaging of elastically scattered electrons Chapter 1. Basic kinematical
More informationWave properties of matter & Quantum mechanics I. Chapter 5
Wave properties of matter & Quantum mechanics I Chapter 5 X-ray diffraction Max von Laue suggested that if x-rays were a form of electromagnetic radiation, interference effects should be observed. Crystals
More informationNeutron Instruments I & II. Ken Andersen ESS Instruments Division
Neutron Instruments I & II ESS Instruments Division Neutron Instruments I & II Overview of source characteristics Bragg s Law Elastic scattering: diffractometers Continuous sources Pulsed sources Inelastic
More informationName : Roll No. :.... Invigilator s Signature :.. CS/B.Tech (NEW)/SEM-2/PH-201/2013 2013 PHYSICS - I Time Allotted : 3 Hours Full Marks : 70 The figures in the margin indicate full marks. Candidates are
More informationExercise 1 Atomic line spectra 1/9
Exercise 1 Atomic line spectra 1/9 The energy-level scheme for the hypothetical one-electron element Juliettium is shown in the figure on the left. The potential energy is taken to be zero for an electron
More informationHigh-Resolution. Transmission. Electron Microscopy
Part 4 High-Resolution Transmission Electron Microscopy 186 Significance high-resolution transmission electron microscopy (HRTEM): resolve object details smaller than 1nm (10 9 m) image the interior of
More informationX-ray Crystallography
2009/11/25 [ 1 ] X-ray Crystallography Andrew Torda, wintersemester 2009 / 2010 X-ray numerically most important more than 4/5 structures Goal a set of x, y, z coordinates different properties to NMR History
More informationChapter 11. Structures and Dynamics of Self-Assembled Surface Monolayers
325 Chapter 11 Structures and Dynamics of Self-Assembled Surface Monolayers adapted from C.-Y. Ruan, D.-S. Yang, A. H. Zewail, J. Am. Chem. Soc. 126, 12797 (2004). 326 Introduction When a beam of ultrashort
More informationApplications of X-ray and Neutron Scattering in Biological Sciences: Symmetry in direct and reciprocal space 2012
Department of Drug Design and Pharmacology Applications of X-ray and Neutron Scattering in Biological Sciences: Symmetry in direct and reciprocal space 2012 Michael Gajhede Biostructural Research Copenhagen
More informationThe Phase Problem of X-ray Crystallography
163 The Phase Problem of X-ray Crystallography H.A. Hauptman Hauptman-Woodward Medical Research Institute, Inc. 73 High Street Buffalo, NY, USA hauptman@hwi.buffalo.edu ABSTRACT. The intensities of a sufficient
More informationElectron Microscopy I
Characterization of Catalysts and Surfaces Characterization Techniques in Heterogeneous Catalysis Electron Microscopy I Introduction Properties of electrons Electron-matter interactions and their applications
More informationRöntgenpraktikum. M. Oehzelt. (based on the diploma thesis of T. Haber [1])
Röntgenpraktikum M. Oehzelt (based on the diploma thesis of T. Haber [1]) October 21, 2004 Contents 1 Fundamentals 2 1.1 X-Ray Radiation......................... 2 1.1.1 Bremsstrahlung......................
More informationChapters 31 Atomic Physics
Chapters 31 Atomic Physics 1 Overview of Chapter 31 Early Models of the Atom The Spectrum of Atomic Hydrogen Bohr s Model of the Hydrogen Atom de Broglie Waves and the Bohr Model The Quantum Mechanical
More informationThe Solid State. Phase diagrams Crystals and symmetry Unit cells and packing Types of solid
The Solid State Phase diagrams Crystals and symmetry Unit cells and packing Types of solid Learning objectives Apply phase diagrams to prediction of phase behaviour Describe distinguishing features of
More informationSite-specific electron diffraction resolved via nuclear recoil
Site-specific electron diffraction resolved via nuclear recoil Aimo Winkelmann Maarten Vos Max-Planck-Institut für Mikrostrukturphysik Halle (Saale), Germany Research School of Physics and Engineering
More informationIntroduction to X-ray and neutron scattering
UNESCO/IUPAC Postgraduate Course in Polymer Science Lecture: Introduction to X-ray and neutron scattering Zhigunov Alexander Institute of Macromolecular Chemistry ASCR, Heyrovsky sq., Prague -16 06 http://www.imc.cas.cz/unesco/index.html
More informationStructure of Surfaces
Structure of Surfaces C Stepped surface Interference of two waves Bragg s law Path difference = AB+BC =2dsin ( =glancing angle) If, n =2dsin, constructive interference Ex) in a cubic lattice of unit cell
More informationData processing and reduction
Data processing and reduction Leopoldo Suescun International School on Fundamental Crystallography 2014 May 1st, 2014 Reciprocal lattice c* b* b * dh' k' l' 1 dh' k' l' * dhkl 1 dhkl a a* 0 d hkl c bc
More informationSolid State Physics. Lecture 10 Band Theory. Professor Stephen Sweeney
Solid State Physics Lecture 10 Band Theory Professor Stephen Sweeney Advanced Technology Institute and Department of Physics University of Surrey, Guildford, GU2 7XH, UK s.sweeney@surrey.ac.uk Recap from
More informationarxiv: v3 [nucl-ex] 18 May 2018
Observation of Pendellösung Fringes by Using Pulsed Neutrons Shigeyasu Itoh, Masaya Nakaji, Yuya Uchida, Masaaki Kitaguchi, and Hirohiko M. Shimizu Department of Physics, Nagoya University Furo-cho, Chikusa-ku,
More informationChap 3 Scattering and structures
Chap 3 Scattering and structures Dept of Phys M.C. Chang Von Laue was struck in 1912 by the intuition that X-ray might scatter off crystals in the way that ordinary light scatters off a diffraction grating.
More informationCrystal Structure and Electron Diffraction
Crystal Structure and Electron Diffraction References: Kittel C.: Introduction to Solid State Physics, 8 th ed. Wiley 005 University of Michigan, PHY441-44 (Advanced Physics Laboratory Experiments, Electron
More information