Simo Huotari University of Helsinki, Finland European Synchrotron Radiation Facility, Grenoble, France
|
|
|
- Gillian Goodman
- 5 years ago
- Views:
Transcription
1 X-ray Raman spectroscopy Simo Huotari University of Helsinki, Finland European Synchrotron Radiation Facility, Grenoble, France
2 Outline of today Part 1 Introduction Part 2 Theory Part 3 Applications I Tomorrow Instruments, applications, future Simo Huotari :33:10 2
3 X-ray interaction with matter Interaction H photoelectric absorption Incoming x-rays Transmission generic sample Simo Huotari :33:10 3
4 :33:10 Simo Huotari barn m cos 1 ˆ ˆ r r r e e r d d TH (THOMSON) Elastic scattering (wave picture) beam
5 Inelastic scattering (particle picture) Photon-electron collision can be inelastic (Arthur H. Compton Nobel prize 1927). Energy is transferred from photon to electron. 2θ Wavelength shift Δλ = h (1 cos 2θ) mc (famous Compton formula) Simo Huotari 18:33:10 5
6 Why spectroscopy? Spectroscopy electron levels and properties electron conductivity optical properties Energy levels E Structural probes (diffraction ) positions of atoms in real space elastic properties Charge density Ψ r 2 EΨ r = ħ2 2m 2 Ψ r + V r Ψ(r) Simo Huotari 18:33:11 6
7 X-ray scattering Energy transfer ħω = ħω 1 ħω 2 Momentum transfer ħq = ħk 1 ħk 2 q 2k 1 sin 2θ = 4π sin 2θ 2 λ 1 2 detector incoming x-rays 2θ ħω 1 k 1 ε 1 generic sample Simo Huotari 18:33:12 7
8 X-ray scattering Elastic x-ray scattering coherent electron state: initial = final photon energy does not change diffraction, small angle scattering, etc. (structural information) f(q) = coherent scattering factor Inelastic x-ray scattering incoherent initial final photon gives energy to the electron spectroscopy (energetic information) S(q) = incoherent scattering factor Simo Huotari 18:33:12 8
9 X-ray/matter interactions for copper (Cu, Z=29) Simo Huotari 18:33:12 9
10 History: what is x-ray Raman? Nobel prize 1930 Simo Huotari :33:12 10
11 Electron binding energy History: what is x-ray Raman? Equivalence of: Scattering Absorption Excitations optical Raman infrared absorption vibrational (mev) x-ray Raman soft x-ray absorption core-electrons (ev, kev) hole electron E core hole Simo Huotari 18:33:12 11
12 Particle probing depth photons Simo Huotari :33:13 12
13 Hard x-rays: benefits Access to extreme conditions Bulk sensitivity Almost unlimited momentum transfer Simo Huotari 18:33:13 13
14 Energy X-ray absorption edges Absorption e M 2,3,... M 1 3d 3p 3s ħω 1, I 0 ħω 1, I 0 exp ( μ ρ ρd) L 3 L 2 L 1 2p 1/2,3/2 2s K edge 1s Measure at least one of: - transmission - fluorescence yield - electron yield Simo Huotari 18:33:13 14
15 Recall from Steve Heald s lectures: from Steve Heald EXAFS: information on local structure XANES: information on chemical state and valence Simo Huotari 18:33:13 15
16 Typical spectrum D. Sokaras et al., Rev. Sci. Instrum. 83, (2012); doi: / Simo Huotari 18:33:13 16
17 Complementary techniques - Soft x-ray absorption (XAS, XANES, EXAFS) e ħω 1, I 0 ħω 1, I 0 exp ( μ ρ ρd) - Electron scattering (EELS, ELNES) e 2θ 2θ Simo Huotari 18:33:13 17
18 Outline of today Part 1 Introduction Part 2 Theory Part 3 Applications I Tomorrow Instruments, applications, future Simo Huotari :33:13 18
19 Theory Quantum mechanics: Interaction of x-rays with matter is taken into account by the transformation p p e c A(r) where A is the vector field operator. Thus the Hamiltonian becomes H = p e c A(r) 2 2m + V r H = H 0 e mc p A r + 1 2m absorption and emission e c 2 A r A(r) scattering Simo Huotari 18:33:13 19
20 Fermi s Golden Rule Transition rate w is given in the first order perturbation by w = 2π ħ f H i 2 δ(e i E f ħω) electron final state electron initial state energy transfer Simo Huotari 18:33:15 20
21 Inelastic scattering cross section d 2 σ dωdω 2 = dσ dω Th ω 2 ω 1 f f e iq r i δ E f E i ħω This gives the scattering probability to the solid angle interval [Ω, Ω + dω] and energy interval [ω 2, ω 2 + dω 2 ] Simo Huotari 18:33:15 21
22 Electron binding energy Photon absorption p A term in first order Probability for absorption process 1 exp μ ρ ρd μ/ρ [cm 2 /g] = mass absorption coefficient hole electron Photon energy ħω 1, polarisation Simo Huotari 18:33:15 22
23 Electron binding energy Inelastic scattering A A term in first order hole electron Energy transfer ω = ω 1 ω 2 Momentum transfer q = k 1 k Simo Huotari 18:33:15 23
24 Absorption vs. scattering Absorption Scattering P ω Ψ f p A Ψ i 2 δ Ei E f + ω f S Q, ω Ψ f e iq r Ψ i 2 δ Ei E f + ω f Dipole selection rule P ω ω e.g., s s (monopole, l=0) s p (dipole, l=1) s d (quadrupole, l=2) etc... Use the momentum transfer dependence of the scattering matrix element: as q 0 then e iq r = 1 + iq r q r dipole Higher order multipoles Simo Huotari, Benasque TDDFT school :33:16 24
25 Summary: most important thing X-ray Raman scattering is inelastic x-ray scattering from core electrons Powerful technique rapidly growing in popularity with 3 rd generation synchrotrons Use hard x-rays to study soft x-ray edges bulk-sensitive measurements easy access to extreme environments ω 1 ω 1 E core E core Additionally momentum-transfer dependence energy transfer E core momentum transfer q Simo Huotari 18:33:16 25
26 Outline of today Part 1 Introduction Part 2 Theory Part 3 Applications I Tomorrow Instruments, applications, future Simo Huotari :33:16 26
27 Extreme conditions pressure = force / area V.M.Giordano, T. Pylkkänen et al. ESRF ID16 photons in Experimental details 1 mm diamond tip (culet) 5 mm Be gasket 350 micron sample size sample X-ray beam µm 2 Ruby chip for P calibration Simo Huotari 18:33:16 27
28 Liquid He Cryostat (4 K) Low temperatures Liquid nitrogen cryo-jet (77 K) He sorption pump (1 K) F. Albergamo et al., ESRF Simo Huotari 18:33:16 28
29 Extremely high temperatures (thousands of deg): Laser heating and aerodynamic levitation High temperatures (up to 1000 deg C): furnaces, hot air guns Wikipedia: Aerodynamic levitation ESRF, Sample group Droplet of liquid basalt BCR-2 during levitation. The sample was heated from the top using a CO 2 -laser. The diameter of the sphere was ~2 mm. A. Pack et al., Geochemical transactions 2010, 11: Simo Huotari 18:33:16 29
30 Normalized intensity Extreme conditions: high pressure Meng et al. Nature Mat. 3, 111 (2004) vertical horizontal Mao et al. Science 302, 425 (2003) Energy loss (ev) Simo Huotari 18:33:16 30
31 Phase diagram of water Simo Huotari 18:33:16 31
32 XANES of water Wernet et al. Science 304, 995 (2004) An ongoing debate liquid water Prepeak taken as a signature of hydrogen bond distortions Difficulties in modeling signal with existing models for water NH 3 -terminated ice surface asymmetric model ice surface vs. bulk ice symmetric asymmetric Simo Huotari 18:33:17 32 Ph. Wernet et al. Science 304 (2004) 995
33 Gaining structural information by XANES spectroscopy connection? spectrum structure application? Wernet et al. Science 304, 995 (2004) Simo Huotari 17:59:14 33
34 X-Ray Raman Scattering Study of High Pressure Ices T. Pylkkänen et al. J. Phys. Chem. B, 2010, 114, g cm g cm -3 Liquid Ice VII (cubic) 0.92 g cm g cm g cm -3 Ice I h (hexagonal) Simo Huotari 18:01:36 34 Ice VI (tetragonal) Ice VIII (VII+proton order) 34
35 X-Ray Raman Scattering Study of High Pressure Ices T. Pylkkänen et al. J. Phys. Chem. B, 2010, 114, g cm g cm -3 Liquid Ice VII (cubic) 0.92 g cm g cm g cm -3 Ice I h (hexagonal) Simo Huotari 18:03:24 35 Ice VI (tetragonal) Ice VIII (VII+proton order)
36 Lithium ion batteries T. T. Fister et al., J. Chem. Phys. 135, (2011) Simo Huotari 18:33:17 36
37 X-ray Raman spectroscopy Simo Huotari Henry Moseley Summer School, Turkey, June 2012
38 Outline of today Part 1 Refresh your memory Part 2 Instrument Part 3 Novel type of 3D imaging Part 4 EXAFS Simo Huotari 17:47:23 38
39 X-ray Raman / Inelastic x-ray scattering - Not to be confused with optical Raman - Core-electron spectroscopy similar to x-ray absorption - Element specific: probes local structure around desired element - Momentum transfer vector q takes the place of polarization in x-ray absorption Simo Huotari 17:47:23 39
40 Compton line Example: diamond Core-level line T. Pylkkänen, PhD Thesis, Univ. Helsinki (2011) Simo Huotari 17:47:23 40
41 Absorption (arb. units) Energy XANES spectroscopy μ E = M E ρ l E M E is the matrix element (depends weakly on E) ρ l E = local density of states with angular symmetry l (ldos or pdos) Angular-momentum projected DOS ρ l E Carbon forms Fermi level sp 3 sp 2, in-plane sp 2, out-of-plane Energy (ev) 1s Simo Huotari 17:47:23 41
42 Examples of Gas Phase Spectra N2O CO2 O K-edge of H 2 CO Hitchcock and Brion, J. Electron Spectrosc. Relat. Phenom. 19, 231 (1980) J. Inkinen et al., in preparation Simo Huotari 17:47:23 42
43 J. Lehtola ERKALE HF/DFT from Hel Simo Huotari 17:47:23 43
44 44 Properties and specialities of ERKALE A Gaussian orbital code Supports calculation at density-functional theory and Hartree-Fock level LDA, GGA, hybrid GGA and meta-gga functionals supported Basis sets of arbitrary angular momentum supported X-ray absorption and x-ray Raman scattering through the transition potential approximation (TPA) Valence excitations through time-dependent DFT with Casida formalism Ground-state electron momentum density and Compton profile Simo Huotari 17:47:23 44
45 Vibrational modes effect on CO2 300 K 850 K J. Inkinen et al. in preparation Simo Huotari 17:47:23 45
46 Calculations of core-level spectra Neglecting vibrations: f> unoccupied occupied i> Simo Huotari 17:47:23 46
47 Including vibrations: Calculations of core-level spectra Franck-Condon overlap integral Simo Huotari 17:47:23 47
48 Absorption vs. scattering Absorption Scattering P ω Ψ f p A Ψ i 2 δ Ei E f + ω f S Q, ω Ψ f e iq r Ψ i 2 δ Ei E f + ω f Dipole selection rule Use the momentum transfer dependence of the scattering matrix element: as q 0 then e iq r = 1 + iq r q r e.g., s s (monopole, l=0) s p (dipole, l=1) s d (quadrupole, l=2) etc... dipole Higher order multipoles Simo Huotari, Benasque TDDFT school :47:23 48
49 Higher-Z materials: 4d-4f (N 4,5 edge) transitions in LaPO 4 4f0 4f1 R. A. Gordon et al. EPL 81, (2008) Simo Huotari 17:48:05 49
50 Higher-Z materials: 4d-4f (N 4,5 edge) transitions in LaPO 4 4f0 R. A. Gordon et al. EPL 81, (2008) Simo Huotari 17:47:23 50
51 Outline of today Part 1 Refresh your memory Part 2 Instrument Part 3 Novel type of 3D imaging Part 4 EXAFS Simo Huotari 17:47:23 51
52 Energy resolution Best solid-state detectors (e.g., silicon drift diodes) offer ~150 ev energy resolution Darwin width of a reflection from a Si crystal is <1 ev: Crystal optics! Bragg s law: nλ = 2d sinθ Simo Huotari 17:47:23 52
53 Darwin width Bragg s law: nλ = 2d sinθ Si(660) θ B = 89 Simo Huotari 17:47:23 53
54 Diffuse scattering from point source? Crystal diffraction OK when beam nearly parallel Diffuse scattering from a point source not OK for flat crystal: alternative solution required Simo Huotari 17:47:23 54
55 Concept of Rowland circle Simo Huotari 17:47:23 55
56 Concept of Rowland circle bending radius R ~ m Simo Huotari 17:47:23 56
57 Concept of Rowland circle Simo Huotari 17:47:23 57
58 Johann approximation Simo Huotari 17:47:23 58
59 Johann approximation R ~ m Simo Huotari 17:47:23 59
60 Crucial element: Analyser crystal Spherically bent analyser crystals for medium energy resolution ( mev) Diced analyser crystals for high energy resolution (1-200 mev)
61 Taupin (1964) Takagi (1962,1969) Simo Huotari 17:47:23 61
62 Summary: Rowland circle -Offers simultaneous focusing and energy analysis of scattering from a point source -Requirement: crystal surface needs to be cylindrical (n=1) or spherical (n=2) and align with the Rowland circle -Bending causes elastic deformations that enlargen the bandwidth 2 E E l R cot n B Taupin (1964) Takagi (1962,1969) θ B Sample R Analyzer Detector Rowland-circle geometry
63 First instruments Nothing like this... These are experiments! Simo Huotari 17:47:23 63
64 First instruments Nothing like this... These are experiments! Simo Huotari 17:50:43 64
65 Increasing solid angle SSRL ( ) ESRF ID16 (9) SPring-8 (15) APS LERIX (19) 65
66 ESRF UPBL6 (G. Monaco, R. Verbeni, L. Simonelli, K. Martel, C. Henriquet, et al.) 6 movable chambers: 12 analyzers each K-B mirrors Simo Huotari 17:47:23 66
67 Instrumental setup for (non-resonant) IXS α = sample Detector High-resolution monochromator e.g. Si(444) High heat load monochromator e.g. Si(111) ΔE/E ~ tan α Incident beam monitor 62 m Focusing mirror 56 m 54 m 50 m Synchrotron radiation source distance from source ~ 0.2 ev Beam mirror ~ 1 sample ~ 50 µm Bandwidth ~ 1 ev 10 kev photons: momentum transfer ~ 1.4 a.u. Typical incident photon energy ~ 5 15 kev Typical energy transfers ~ 0.2 ev 1 kev Typical momentum transfers ~ a.u.
68 Instrumental setup for (non-resonant) IXS α = sample Detector High-resolution monochromator e.g. Si(444) High heat load monochromator e.g. Si(111) ΔE/E ~ tan α Incident beam monitor 62 m Focusing mirror 56 m 54 m 50 m Synchrotron radiation source distance from source ~ 0.2 ev Beam mirror ~ 1 sample ~ 50 µm Bandwidth ~ 1 ev 10 kev photons: momentum transfer ~ 3.4 a.u. Typical incident photon energy ~ 5 15 kev Typical energy transfers ~ 0.2 ev 1 kev Typical momentum transfers ~ a.u.
69 Instrumental setup for (non-resonant) IXS α = sample Detector High-resolution monochromator e.g. Si(444) High heat load monochromator e.g. Si(111) ΔE/E ~ tan α Incident beam monitor 62 m Focusing mirror 56 m 54 m 50 m Synchrotron radiation source distance from source ~ 0.2 ev Beam mirror ~ 1 sample ~ 50 µm Bandwidth ~ 1 ev 10 kev photons: momentum transfer ~ 5.2 a.u. Typical incident photon energy ~ 5 15 kev Typical energy transfers ~ 0.2 ev 1 kev Typical momentum transfers ~ a.u.
70 Outline of today Part 1 Refresh your memory Part 2 Instrument Part 3 Novel type of 3D imaging Part 4 EXAFS Simo Huotari 17:47:23 70
71 Special techniques: imaging R ~ m Simo Huotari 17:47:23 71
72 X-ray imaging: need for contrast Absorption contrast Phase contrast F. Pfeiffer et al., Nature Physics 2, 258 (2006)
73 Chemical contrast: elemental and chemical mapping U. Bergmann et al., PNAS 107, 9060 (2010)
74 Simo Huotari 17:47:23 74
75 How to identify different carbon bonds with IXS? amorphous graphite crystalline graphite armophous diamond crystalline diamond Simo Huotari 17:47:23 75
76 Carbon mystery sample Carbon composite from fusion reactor sp 2 vs. sp 3? Crystalline vs. amorphous?
77 Result: periodic sp 2 bond orientation variation Huotari, Pylkkänen, Verbeni, Monaco, and Hämäläinen Nature Mater. 10, 489 (2011) Simo Huotari 17:47:23 77
78 Detector: photon-counting hybrid pixel detector TimePix Simo Huotari 17:47:23 78
79 Outline of today Part 1 Refresh your memory Part 2 Instrument Part 3 Novel type of 3D imaging Part 4 EXAFS Simo Huotari 17:47:23 79
80 EXAFS EXAFS = Extended x-ray absorption fine structure Oscillations due to photoelectron scattering with surrounding atoms -> intereference effects -> access to local neighbouring structure XAS Carbon K-edge: ~280 ev Oxygen K-edge: ~540 ev XRS Simo Huotari 17:47:23 80
81 Special techniques: EXAFS Recall: - x-ray Raman spectroscopy is a bulk-sensitive alternative to x-ray absorption of soft-x-ray edges ( ev) - x-ray Raman varying the magnitude of momentum transfer (q) can access non-dipole transitions Simo Huotari 17:47:23 81
82 EXAFS of water U. Bergmann et al., J.. Chem. Phys. 127, (2007) Simo Huotari 17:47:23 82
83 EXAFS of diamond: raw data S. Huotari et al., J. Synchrotron Radiat. 19, 106 (2012) Simo Huotari 17:47:23 83
84 EXAFS of diamond: K edge FEFFq is XRS-extension to FEFF (available in FEFF 9, through the NRIXS keyword) A. Soininen et al., Phys. Rev. B 72, (2005) Simo Huotari 17:47:23 84
85 EXAFS of diamond: result FEFFq is XRS-extension to FEFF (available in FEFF 9, through the NRIXS keyword) A. Soininen et al., Phys. Rev. B 72, (2005) Simo Huotari 17:47:23 85
86 Backscattering path Path leg angle 70 degrees Simo Huotari 17:47:23 86
87 Helsinki Group and Collaborators Helsinki: K. Hämäläinen, M. Hakala, C. Sahle, S. Galambosi, A. Sakko, T. Pylkkänen, J. Lehtola, I. Juurinen, K. Ruotsalainen, J. Inkinen, A. Kallonen, A. Rintala, J. Koskelo ESRF: G. Monaco, R. Verbeni, L. Simonelli, V. M. Giordano et al. Dortmund: Ch. Sternemann, M. Tolan et al. Computations: E. Shirley, J. Rehr, A. Rubio, L. G. M. Pettersson Simo Huotari 17:47:23 87
Simo Huotari University of Helsinki, Finland TDDFT school, Benasque, Spain, January 2012
Overview of spectroscopies III Simo Huotari University of Helsinki, Finland TDDFT school, Benasque, Spain, January 2012 Motivation: why we need theory Spectroscopy (electron dynamics) Theory of electronic
X-Ray Spectroscopy at LCLS
LCLS proposal preparation workshop for experiments at XPP, June 21, 2008, SLAC, Menlo Park, CA ħω ħω e - X-Ray Spectroscopy at LCLS Uwe Bergmann SSRL Stanford Linear Accelerator Center bergmann@slac.stanford.edu
Notes on x-ray scattering - M. Le Tacon, B. Keimer (06/2015)
Notes on x-ray scattering - M. Le Tacon, B. Keimer (06/2015) Interaction of x-ray with matter: - Photoelectric absorption - Elastic (coherent) scattering (Thomson Scattering) - Inelastic (incoherent) scattering
Photon Interaction. Spectroscopy
Photon Interaction Incident photon interacts with electrons Core and Valence Cross Sections Photon is Adsorbed Elastic Scattered Inelastic Scattered Electron is Emitted Excitated Dexcitated Stöhr, NEXAPS
ELECTRONIC EXCITATIONS IN SOLIDS STUDIED USING INELASTIC X-RAY SCATTERING. Szabolcs Galambosi
UNIVERSITY OF HELSINKI REPORT SERIES IN PHYSICS HU-P-D143 ELECTRONIC EXCITATIONS IN SOLIDS STUDIED USING INELASTIC X-RAY SCATTERING Szabolcs Galambosi Division of X-Ray Physics Department of Physical Sciences
Neutron 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
X-ray Spectroscopy. Interaction of X-rays with matter XANES and EXAFS XANES analysis Pre-edge analysis EXAFS analysis
X-ray Spectroscopy Interaction of X-rays with matter XANES and EXAFS XANES analysis Pre-edge analysis EXAFS analysis Element specific Sensitive to low concentrations (0.01-0.1 %) Why XAS? Applicable under
An 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
X-ray Spectroscopy Theory Lectures
TIMES Lecture Series SIMES-SLAC-Stanford Winter, 2017 X-ray Spectroscopy Theory Lectures J. J. Rehr I. Introduction to the Theory of X-ray spectra II. Real-space Green's function Theory and FEFF III. Inelastic
Interaction X-rays - Matter
Interaction X-rays - Matter Pair production hν > M ev Photoelectric absorption hν MATTER hν Transmission X-rays hν' < hν Scattering hν Decay processes hν f Compton Thomson Fluorescence Auger electrons
Studying Metal to Insulator Transitions in Solids using Synchrotron Radiation-based Spectroscopies.
PY482 Lecture. February 28 th, 2013 Studying Metal to Insulator Transitions in Solids using Synchrotron Radiation-based Spectroscopies. Kevin E. Smith Department of Physics Department of Chemistry Division
Lecture 5. X-ray Photoemission Spectroscopy (XPS)
Lecture 5 X-ray Photoemission Spectroscopy (XPS) 5. Photoemission Spectroscopy (XPS) 5. Principles 5.2 Interpretation 5.3 Instrumentation 5.4 XPS vs UV Photoelectron Spectroscopy (UPS) 5.5 Auger Electron
Probing Matter: Diffraction, Spectroscopy and Photoemission
Probing Matter: Diffraction, Spectroscopy and Photoemission Anders Nilsson Stanford Synchrotron Radiation Laboratory Why X-rays? VUV? What can we hope to learn? 1 Photon Interaction Incident photon interacts
Methoden moderner Röntgenphysik I + II: Struktur und Dynamik kondensierter Materie
I + II: Struktur und Dynamik kondensierter Materie Vorlesung zum Haupt/Masterstudiengang Physik SS 2009 G. Grübel, M. Martins, E. Weckert, W. Wurth 1 Trends in Spectroscopy 23.4. 28.4. 30.4. 5.4. Wolfgang
NEW CORRECTION PROCEDURE FOR X-RAY SPECTROSCOPIC FLUORESCENCE DATA: SIMULATIONS AND EXPERIMENT
Copyright JCPDS - International Centre for Diffraction Data 2005, Advances in X-ray Analysis, Volume 48. 266 NEW CORRECTION PROCEDURE FOR X-RAY SPECTROSCOPIC FLUORESCENCE DATA: SIMULATIONS AND EXPERIMENT
Methoden moderner Röntgenphysik I + II: Struktur und Dynamik kondensierter Materie
I + II: Struktur und Dynamik kondensierter Materie Vorlesung zum Haupt/Masterstudiengang Physik SS 2009 G. Grübel, M. Martins, E. Weckert, W. Wurth 1 Trends in Spectroscopy 23.4. 28.4. 30.4. 5.4. Wolfgang
Introduction to XAFS. Grant Bunker Associate Professor, Physics Illinois Institute of Technology. Revised 4/11/97
Introduction to XAFS Grant Bunker Associate Professor, Physics Illinois Institute of Technology Revised 4/11/97 2 tutorial.nb Outline Overview of Tutorial 1: Overview of XAFS 2: Basic Experimental design
X-ray Absorption Spectroscopy. Kishan K. Sinha Department of Physics and Astronomy University of Nebraska-Lincoln
X-ray Absorption Spectroscopy Kishan K. Sinha Department of Physics and Astronomy University of Nebraska-Lincoln Interaction of X-rays with matter Incident X-ray beam Fluorescent X-rays (XRF) Scattered
PHYS Introduction to Synchrotron Radiation
C. Segre (IIT) PHYS 570 - Spring 2018 January 09, 2018 1 / 20 PHYS 570 - Introduction to Synchrotron Radiation Term: Spring 2018 Meetings: Tuesday & Thursday 13:50-15:05 Location: 213 Stuart Building Instructor:
Core Level Spectroscopies
Core Level Spectroscopies Spectroscopies involving core levels are element-sensitive, and that makes them very useful for understanding chemical bonding, as well as for the study of complex materials.
Energy Spectroscopy. Ex.: Fe/MgO
Energy Spectroscopy Spectroscopy gives access to the electronic properties (and thus chemistry, magnetism,..) of the investigated system with thickness dependence Ex.: Fe/MgO Fe O Mg Control of the oxidation
Inelastic soft x-ray scattering, fluorescence and elastic radiation
Inelastic soft x-ray scattering, fluorescence and elastic radiation What happens to the emission (or fluorescence) when the energy of the exciting photons changes? The emission spectra (can) change. One
Quantum 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
Electron 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
Part 1: What is XAFS? What does it tell us? The EXAFS equation. Part 2: Basic steps in the analysis Quick overview of typical analysis
Introduction to XAFS Part 1: What is XAFS? What does it tell us? The EXAFS equation Part 2: Basic steps in the analysis Quick overview of typical analysis Tomorrow Measurement methods and examples The
X-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
Particle nature of light & Quantization
Particle nature of light & Quantization A quantity is quantized if its possible values are limited to a discrete set. An example from classical physics is the allowed frequencies of standing waves on a
Energy Spectroscopy. Excitation by means of a probe
Energy Spectroscopy Excitation by means of a probe Energy spectral analysis of the in coming particles -> XAS or Energy spectral analysis of the out coming particles Different probes are possible: Auger
Chapter 1 X-ray Absorption Fine Structure (EXAFS)
1 Chapter 1 X-ray Absorption Fine Structure (EXAFS) 1.1 What is EXAFS? X-ray absorption fine structure (EXAFS, XAFS) is an oscillatory modulation in the X-ray absorption coefficient on the high-energy
Optical Properties of Semiconductors. Prof.P. Ravindran, Department of Physics, Central University of Tamil Nadu, India
Optical Properties of Semiconductors 1 Prof.P. Ravindran, Department of Physics, Central University of Tamil Nadu, India http://folk.uio.no/ravi/semi2013 Light Matter Interaction Response to external electric
Detecting high energy photons. Interactions of photons with matter Properties of detectors (with examples)
Detecting high energy photons Interactions of photons with matter Properties of detectors (with examples) Interactions of high energy photons with matter Cross section/attenution length/optical depth Photoelectric
X-Ray Photoelectron Spectroscopy (XPS)
X-Ray Photoelectron Spectroscopy (XPS) Louis Scudiero http://www.wsu.edu/~scudiero; 5-2669 Electron Spectroscopy for Chemical Analysis (ESCA) The basic principle of the photoelectric effect was enunciated
PHYS Introduction to Synchrotron Radiation
PHYS 570 - Introduction to Synchrotron Radiation Term: Spring 2015 Meetings: Tuesday & Thursday 17:00-18:15 Location: 204 Stuart Building Instructor: Carlo Segre Office: 166A Life Sciences Phone: 312.567.3498
X-ray Absorption Spectroscopy Eric Peterson 9/2/2010
X-ray Absorption Spectroscopy Eric Peterson 9/2/2010 Outline Generation/Absorption of X-rays History Synchrotron Light Sources Data reduction/analysis Examples Crystallite size from Coordination Number
Lecture 10. Transition probabilities and photoelectric cross sections
Lecture 10 Transition probabilities and photoelectric cross sections TRANSITION PROBABILITIES AND PHOTOELECTRIC CROSS SECTIONS Cross section = σ = Transition probability per unit time of exciting a single
X-Ray Emission Spectroscopy
X-Ray Emission Spectroscopy Axel Knop-Gericke knop@fhi-berlin.mpg.de Core Level Spectroscopy Anders Nilsson. Journal of Electron Spectroscopy and Related Phenomena 126 (2002) 3-42 Creation of core holes
X-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
Interaction of particles with matter - 2. Silvia Masciocchi, GSI and University of Heidelberg SS2017, Heidelberg May 3, 2017
Interaction of particles with matter - 2 Silvia Masciocchi, GSI and University of Heidelberg SS2017, Heidelberg May 3, 2017 Energy loss by ionization (by heavy particles) Interaction of electrons with
Small Angle Neutron Scattering in Different Fields of Research. Henrich Frielinghaus
Small Angle Neutron Scattering in Different Fields of Research Henrich Frielinghaus Jülich Centre for Neutron Science Forschungszentrum Jülich GmbH Lichtenbergstrasse 1 85747 Garching (München) h.frielinghaus@fz-juelich.de
Lecture 5: Characterization methods
Lecture 5: Characterization methods X-Ray techniques Single crystal X-Ray Diffration (XRD) Powder XRD Thin film X-Ray Reflection (XRR) Microscopic methods Optical microscopy Electron microscopies (SEM,
Lecture 10. Transition probabilities and photoelectric cross sections
Lecture 10 Transition probabilities and photoelectric cross sections TRANSITION PROBABILITIES AND PHOTOELECTRIC CROSS SECTIONS Cross section = = Transition probability per unit time of exciting a single
Optical Properties of Solid from DFT
Optical Properties of Solid from DFT 1 Prof.P. Ravindran, Department of Physics, Central University of Tamil Nadu, India & Center for Materials Science and Nanotechnology, University of Oslo, Norway http://folk.uio.no/ravi/cmt15
Improving the energy resolution of bent crystal X-ray spectrometers with position-sensitive detectors. Honkanen, Ari-Pekka.
https://helda.helsinki.fi Improving the energy resolution of bent crystal X-ray spectrometers with position-sensitive detectors Honkanen, Ari-Pekka 2014-06-12 Honkanen, A-P, Verbeni, R, Simonelli, L, Moretti
Core loss spectra (EELS, XAS)
Core loss spectra (EELS, XAS) Kevin Jorissen University of Washington (USA) WIENk 013 Penn State 1. Concepts WIENk calculates ELNES / XANES EELS : Electron Energy Loss Spectroscopy XAS: X-ray Absorption
Review of Optical Properties of Materials
Review of Optical Properties of Materials Review of optics Absorption in semiconductors: qualitative discussion Derivation of Optical Absorption Coefficient in Direct Semiconductors Photons When dealing
MSE 321 Structural Characterization
r lim = 0 r e + e - mv 2/r e 2 /(4πε 0 r 2 ) KE } W = ½mv 2 - Electrons e =.6022x0-9 C ε 0 = 8.854x0-2 F/m m 0 = 9.094x0-3 kg PE } e 2 4πε 0 r (PE= F d ) e e W = - =( 2 2 -e 2 8πε 0 r 4πε 0 r ) mv 2 e
Small-Angle X-ray Scattering (SAXS)/X-ray Absorption Near Edge Spectroscopy (XANES).
S1 Small-Angle X-ray Scattering (SAXS)/X-ray Absorption Near Edge Spectroscopy (XANES). The combined SAXS/XANES measurements were carried out at the µspot beamline at BESSY II (Berlin, Germany). The beamline
22.54 Neutron Interactions and Applications (Spring 2004) Chapter 1 (2/3/04) Overview -- Interactions, Distributions, Cross Sections, Applications
.54 Neutron Interactions and Applications (Spring 004) Chapter 1 (/3/04) Overview -- Interactions, Distributions, Cross Sections, Applications There are many references in the vast literature on nuclear
X-Ray Photoelectron Spectroscopy (XPS)
X-Ray Photoelectron Spectroscopy (XPS) Louis Scudiero http://www.wsu.edu/~scudiero; 5-2669 Fulmer 261A Electron Spectroscopy for Chemical Analysis (ESCA) The basic principle of the photoelectric effect
V 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,
What happens when light falls on a material? Transmission Reflection Absorption Luminescence. Elastic Scattering Inelastic Scattering
Raman Spectroscopy What happens when light falls on a material? Transmission Reflection Absorption Luminescence Elastic Scattering Inelastic Scattering Raman, Fluorescence and IR Scattering Absorption
Two-electron photo-excited atomic processes near inner-shell threshold studied by RIXS spectroscopy
Two-electron photo-excited atomic processes near inner-shell threshold studied by RIXS spectroscopy Matjaž Kavčič J. Stefan Institute, Ljubljana, Slovenia K. Bučar F. Gasser M. Kavčič A. Mihelič M. Štuhec
Angle-Resolved Two-Photon Photoemission of Mott Insulator
Angle-Resolved Two-Photon Photoemission of Mott Insulator Takami Tohyama Institute for Materials Research (IMR) Tohoku University, Sendai Collaborators IMR: H. Onodera, K. Tsutsui, S. Maekawa H. Onodera
Stellar Astrophysics: The Interaction of Light and Matter
Stellar Astrophysics: The Interaction of Light and Matter The Photoelectric Effect Methods of electron emission Thermionic emission: Application of heat allows electrons to gain enough energy to escape
Transition probabilities and photoelectric cross sections
Transition probabilities and photoelectric cross sections General geometry for defining the differential cross-section dσ/dω, Showing both polarized and unpolarized incident radiation. The polarization
1. Nuclear Size. A typical atom radius is a few!10 "10 m (Angstroms). The nuclear radius is a few!10 "15 m (Fermi).
1. Nuclear Size We have known since Rutherford s! " scattering work at Manchester in 1907, that almost all the mass of the atom is contained in a very small volume with high electric charge. Nucleus with
Lecture 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).
Birck Nanotechnology Center XPS: X-ray Photoelectron Spectroscopy ESCA: Electron Spectrometer for Chemical Analysis
Birck Nanotechnology Center XPS: X-ray Photoelectron Spectroscopy ESCA: Electron Spectrometer for Chemical Analysis Dmitry Zemlyanov Birck Nanotechnology Center, Purdue University Outline Introduction
Surface Analysis - The Principal Techniques
Surface Analysis - The Principal Techniques Edited by John C. Vickerman Surface Analysis Research Centre, Department of Chemistry UMIST, Manchester, UK JOHN WILEY & SONS Chichester New York Weinheim Brisbane
X-ray Energy Spectroscopy (XES).
X-ray Energy Spectroscopy (XES). X-ray fluorescence as an analytical tool for element analysis is based on 3 fundamental parameters: A. Specificity: In determining an x-ray emission energy E certainty
X-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
IV. Surface analysis for chemical state, chemical composition
IV. Surface analysis for chemical state, chemical composition Probe beam Detect XPS Photon (X-ray) Photoelectron(core level electron) UPS Photon (UV) Photoelectron(valence level electron) AES electron
Plan of the lectures
Plan of the lectures 1. Introductory remarks on metallic nanostructures Relevant quantities and typical physical parameters Applications. Linear electron response: Mie theory and generalizations 3. Nonlinear
Core-Level spectroscopy. Experiments and first-principles calculations. Tomoyuki Yamamoto. Waseda University, Japan
Core-Level spectroscopy Experiments and first-principles calculations Tomoyuki Yamamoto Waseda University, Japan 22 nd WIEN2k workshop Jun. 26 th, 2015@Singapore Outline What is core-level spectroscopy
Synchrotron radiation
Synchrotron radiation Bremsstrahlung is the electromagnetic radiation produced by the acceleration of a charged particle, such as an electron The electromagnetic field generated by a particle of charge
Fundamentals of Nanoscale Film Analysis
Fundamentals of Nanoscale Film Analysis Terry L. Alford Arizona State University Tempe, AZ, USA Leonard C. Feldman Vanderbilt University Nashville, TN, USA James W. Mayer Arizona State University Tempe,
School on Synchrotron and Free-Electron-Laser Sources and their Multidisciplinary Applications. 26 April - 7 May, 2010
2139-12 School on Synchrotron and Free-Electron-Laser Sources and their Multidisciplinary Applications 26 April - 7 May, 2010 Inelastic x-ray scattering: principles Filippo Bencivenga Elettra, Trieste
Rutherford Backscattering Spectrometry
Rutherford Backscattering Spectrometry EMSE-515 Fall 2005 F. Ernst 1 Bohr s Model of an Atom existence of central core established by single collision, large-angle scattering of alpha particles ( 4 He
arxiv: v2 [physics.optics] 2 Jun 2016
![arxiv: v2 [physics.optics] 2 Jun 2016](/thumbs/95/123608517.jpg "arxiv: v2 [physics.optics] 2 Jun 2016")
Journal of Applied Crystallography ISSN 0021-8898 A computationally efficient method to solve the Takagi-Taupin equations for a large deformed crystal Ari-Pekka Honkanen, a * Giulio Monaco b and Simo Huotari
Supplementary Materials
Supplementary Materials Sample characterization The presence of Si-QDs is established by Transmission Electron Microscopy (TEM), by which the average QD diameter of d QD 2.2 ± 0.5 nm has been determined
Atomic Motion via Inelastic X-Ray Scattering
Atomic Motion via Inelastic X-Ray Scattering Cheiron School Beamline Practical - Monday ONLY at BL35 Alfred Q.R. Baron & Satoshi Tsutsui We will introduce students to the use of inelastic x-ray scattering,
Basics of Synchrotron Radiation Beamlines and Detectors. Basics of synchrotron radiation X-ray optics as they apply to EXAFS experiments Detectors
Basics of Synchrotron Radiation Beamlines and Detectors Basics of synchrotron radiation X-ray optics as they apply to EXAFS experiments Detectors Important properties of Synchrotron Radiation Tunability
Decays and Scattering. Decay Rates Cross Sections Calculating Decays Scattering Lifetime of Particles
Decays and Scattering Decay Rates Cross Sections Calculating Decays Scattering Lifetime of Particles 1 Decay Rates There are THREE experimental probes of Elementary Particle Interactions - bound states
Synchrotron Methods in Nanomaterials Research
Synchrotron Methods in Nanomaterials Research Marcel MiGLiERiNi Slovak University of Technology in Bratislava and Centre for Nanomaterials Research, Olomouc marcel.miglierini@stuba.sk www.nuc.elf.stuba.sk/bruno
4. 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,
Molecular Physics. Attraction between the ions causes the chemical bond.
Molecular Physics A molecule is a stable configuration of electron(s) and more than one nucleus. Two types of bonds: covalent and ionic (two extremes of same process) Covalent Bond Electron is in a molecular
X-ray Photoelectron Spectroscopy (XPS)
X-ray Photoelectron Spectroscopy (XPS) As part of the course Characterization of Catalysts and Surfaces Prof. Dr. Markus Ammann Paul Scherrer Institut markus.ammann@psi.ch Resource for further reading:
PAPER No. : 8 (PHYSICAL SPECTROSCOPY) MODULE No. : 5 (TRANSITION PROBABILITIES AND TRANSITION DIPOLE MOMENT. OVERVIEW OF SELECTION RULES)
Subject Chemistry Paper No and Title Module No and Title Module Tag 8 and Physical Spectroscopy 5 and Transition probabilities and transition dipole moment, Overview of selection rules CHE_P8_M5 TABLE
Sakura Pascarelli European Synchrotron Radiation Facility, Grenoble, France
X-RAY ABSORPTION SPECTROSCOPY: FUNDAMENTALS AND SIMPLE MODEL OF EXAFS Sakura Pascarelli European Synchrotron Radiation Facility, Grenoble, France Part I: Fundamentals o X-ray Absorption Fine Structure:
Advanced Spectroscopies of Modern Quantum Materials
Advanced Spectroscopies of Modern Quantum Materials The part about Advanced spectroscopies Some course goals: Better understand the link between experiment and the microscopic world of quantum materials.
IR Spectrography - Absorption. Raman Spectrography - Scattering. n 0 n M - Raman n 0 - Rayleigh
RAMAN SPECTROSCOPY Scattering Mid-IR and NIR require absorption of radiation from a ground level to an excited state, requires matching of radiation from source with difference in energy states. Raman
Interaction theory Photons. Eirik Malinen
Interaction theory Photons Eirik Malinen Introduction Interaction theory Dosimetry Radiation source Ionizing radiation Atoms Ionizing radiation Matter - Photons - Charged particles - Neutrons Ionizing
Electron and vibrational spectroscopy
Electron and vibrational spectroscopy Stéphane Pailhès Institute of Light and Matter, CNRS and UCBLyon 1 Team (Nano)Materials for Energy Phonons definition A phonon (i.e. a lattice wave) is described by
Vibrational Spectroscopies. C-874 University of Delaware
Vibrational Spectroscopies C-874 University of Delaware Vibrational Spectroscopies..everything that living things do can be understood in terms of the jigglings and wigglings of atoms.. R. P. Feymann Vibrational
An Introduction to XAFS
An Introduction to XAFS Matthew Newville Center for Advanced Radiation Sources The University of Chicago 21-July-2018 Slides for this talk: https://tinyurl.com/larch2018 https://millenia.cars.aps.anl.gov/gsecars/data/larch/2018workshop
MODERN OPTICS. P47 Optics: Unit 9
MODERN OPTICS P47 Optics: Unit 9 Course Outline Unit 1: Electromagnetic Waves Unit 2: Interaction with Matter Unit 3: Geometric Optics Unit 4: Superposition of Waves Unit 5: Polarization Unit 6: Interference
Neutron scattering from quantum materials
Neutron scattering from quantum materials Bernhard Keimer Max Planck Institute for Solid State Research Max Planck UBC UTokyo Center for Quantum Materials Detection of bosonic elementary excitations in
X-ray absorption spectroscopy.
X-ray absorption spectroscopy www.anorg.chem.uu.nl/people/staff/frankdegroot/ X-ray absorption spectroscopy www.anorg.chem.uu.nl/people/staff/frankdegroot/ Frank de Groot PhD: solid state chemistry U Nijmegen
Applied Nuclear Physics (Fall 2006) Lecture 19 (11/22/06) Gamma Interactions: Compton Scattering
.101 Applied Nuclear Physics (Fall 006) Lecture 19 (11//06) Gamma Interactions: Compton Scattering References: R. D. Evans, Atomic Nucleus (McGraw-Hill New York, 1955), Chaps 3 5.. W. E. Meyerhof, Elements
Advanced Lab Course. X-Ray Photoelectron Spectroscopy 1 INTRODUCTION 1 2 BASICS 1 3 EXPERIMENT Qualitative analysis Chemical Shifts 7
Advanced Lab Course X-Ray Photoelectron Spectroscopy M210 As of: 2015-04-01 Aim: Chemical analysis of surfaces. Content 1 INTRODUCTION 1 2 BASICS 1 3 EXPERIMENT 3 3.1 Qualitative analysis 6 3.2 Chemical
Rb, which had been compressed to a density of 1013
Modern Physics Study Questions for the Spring 2018 Departmental Exam December 3, 2017 1. An electron is initially at rest in a uniform electric field E in the negative y direction and a uniform magnetic
MS482 Materials Characterization ( 재료분석 ) Lecture Note 5: RBS
2016 Fall Semester MS482 Materials Characterization ( 재료분석 ) Lecture Note 5: RBS Byungha Shin Dept. of MSE, KAIST 1 Course Information Syllabus 1. Overview of various characterization techniques (1 lecture)
Soft X-ray Physics DELNOR-WIGGINS PASS STATE PARK
Soft X-ray Physics Overview of research in Prof. Tonner s group Introduction to synchrotron radiation physics Photoemission spectroscopy: band-mapping and photoelectron diffraction Magnetic spectroscopy
Atomic Motion via Inelastic X-Ray Scattering
Atomic Motion via Inelastic X-Ray Scattering Cheiron School Beamline Practical - Tuesday ONLY at BL43LXU Alfred Q.R. Baron with H. Uchiyama We will introduce students to the use of inelastic x-ray scattering,
Characterisation of vibrational modes of adsorbed species
17.7.5 Characterisation of vibrational modes of adsorbed species Infrared spectroscopy (IR) See Ch.10. Infrared vibrational spectra originate in transitions between discrete vibrational energy levels of
Structural 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
Electron energy loss spectroscopy (EELS)
Electron energy loss spectroscopy (EELS) Phil Hasnip Condensed Matter Dynamics Group Department of Physics, University of York, U.K. http://www-users.york.ac.uk/~pjh503 Many slides courtesy of Jonathan
A computationally efficient method to solve the Takagi-Taupin equations for a large deformed crystal
https://helda.helsinki.fi A computationally efficient method to solve the Takagi-Taupin equations for a large deformed crystal Honkanen, Ari-Pekka 2016-08 Honkanen, A-P, Monaco, G & Huotari, S 2016, '
MS482 Materials Characterization ( 재료분석 ) Lecture Note 2: UPS
2016 Fall Semester MS482 Materials Characterization ( 재료분석 ) Lecture Note 2: UPS Byungha Shin Dept. of MSE, KAIST 1 Course Information Syllabus 1. Overview of various characterization techniques (1 lecture)
Vibrational Spectroscopy
Vibrational Spectroscopy Keith Refson STFC Rutherford Appleton Laboratory August 28, 2009 Density Functional Methods for Experimental Spectroscopy 2009: Oxford 1 / 22 Two similar structures Zincblende