Holdings: Neutron and x-ray spectroscopy

Neutron and x-ray spectroscopy:

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Bibliographic Details
Format:	Book
Language:	English
Published:	Dordrecht Springer 2006
Series:	Grenoble sciences
Subjects:	Neutrons - Diffusion Neutrons - Spectre Spectroscopie des rayons X Neutrons > Scattering Neutrons > Spectra X-ray spectroscopy Neutronenspektroskopie Röntgenspektroskopie
Online Access:	Inhaltsverzeichnis
Physical Description:	XXIV, 566 S. Ill., graph. Darst.
ISBN:	1402033370 9781402033377 9781402033360 1402033362

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Record in the Search Index

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adam_text	NEUTRON AND X-RAY SPECTROSCOPY TU DARMSTADT TEILBIB!IOF H E E TABLE OF CONTENTS CONTRIBUTORS XV FOREWORD XIX INTRODUCTION XXI X-RAY SPECTROSCOPY 1 - FUNDAMENTALS OF X-RAY ABSORPTION AND DICHROISM: THE MULTIPLET APPROACH F. DE GROOT-J. VOGEL 3 1. INTRODUCTION 4 1.1. INTERACTION OF X-RAYS WITH MATTER 4 1.2. BASICS OF XAFS SPECTROSCOPY ...6 1.3. EXPERIMENTAL ASPECTS 9 2. MULTIPLET EFFECTS 11 2.1. ATOMIC MULTIPLETS 14 2.1.1. TERM SYMBOLS 14 2.1.2. MATRIX ELEMENTS 18 2.2. ATOMIC MULTIPLET GROUND STATES OF 3D SYSTEMS 20 2.3. J -J COUPLING 20 2.4. X-RAY ABSORPTION SPECTRA DESCRIBED WITH ATOMIC MULTIPLETS 21 2.4.1. TRANSITION METAL //./// EDGE 21 2.4.2. M IV . V EDGES OF RARE EARTHS 28 3. CRYSTAL FIELD THEORY 31 3.1. THE CRYSTAL FIELD MULTIPLET HAMILTONIAN 32 3.2. CUBIC CRYSTAL FIELDS 33 3.3. THE ENERGIES OF THE 3D CONFIGURATIONS 36 3.3.1. SYMMETRY EFFECTS IN D 4H SYMMETRY 40 3.3.2. THE EFFECT OF THE 3D SPIN-ORBIT COUPLING. 40 3.3.3. THE EFFECTS ON THE X-RAY ABSORPTION CALCULATIONS 42 3.3.4. 3D SYSTEMS IN OCTAHEDRAL SYMMETRY 42 3.3.5. 3D 0 SYSTEMS IN LOWER SYMMETRIES 45 3.3.6. X-RAY ABSORPTION SPECTRA OF 3D SYSTEMS 46 4. CHARGE TRANSFER EFFECTS 47 4.1. INITIAL STATE EFFECTS 47 4.2. FINAL STATE EFFECTS 52 4.3. THE X-RAY ABSORPTION SPECTRUM WITH CHARGE TRANSFER EFFECTS 53 5. X-RAY LINEAR AND CIRCULAR DICHROISM 59 REFERENCES 64 V VI NEUTRON AND X-RAY SPECTROSCOPY 2 - MULTIPLE SCATTERING THEORY APPLIED TO X-RAY ABSORPTION NEAR-EDGE STRUCTURE P. SAINCTAVIT - D. CABARET - V. BRIOIS 67 1. INTRODUCTION 67 2. MST FOR REAL SPACE CALCULATIONS 70 2.1. THE ABSORPTION CROSS-SECTION ; 71 2.2. CALCULATION OF THE CROSS-SECTION FOR THREE DIFFERENT POTENTIALS 73 2.2.1. FREE PARTICLE 73 2.2.2. PARTICLE IN A SPHERICAL POTENTIAL 75 2.2.3. PARTICLE IN A MUFFIN-TIN POTENTIAL 78 3. CONSTRUCTION OF THE POTENTIAL 83 3.1. X-A EXCHANGE POTENTIAL 85 3.2. DIRAC-HARA EXCHANGE POTENTIAL 85 3.3. COMPLEX HEDIN-LUNDQVIST EXCHANGE AND CORRELATION POTENTIAL 87 4. APPLICATION OF THE MULTIPLE SCATTERING THEORY 89 4.1. VANADIUM K EDGE CROSS-SECTION FOR VO 6 CLUSTER 90 4.2. IRON K EDGE CROSS-SECTION FOR FEO^ CLUSTER 93 4.3. CROSS-SECTION CALCULATIONS IN DISTORTED OCTAHEDRA 94 5. SPIN TRANSITION IN FE N (O-PHENANTROLINE) 2 (NCS) 2 FOLLOWED AT THE IRON K EDGE 95 6. CONCLUSION 97 APPENDIX - EXPRESSION FOR THE PROPAGATORS J[[, AND H^J. 97 ACKNOWLEDGMENTS 99 REFERENCES 100 3 - X-RAY MAGNETIC CIRCULAR DICHROISM F. BANDELET 103 1. INTRODUCTION 103 2. ORIGINS OF MAGNETIC CIRCULAR DICHROISM 104 2.1. THEORETICAL ASPECTS: ROLE OF THE SPIN-ORBIT COUPLING 104 2.2. LIGHT POLARIZATION AND POLARIZATION-DEPENDENT SELECTION RULES 106 2.3. ORIGIN OF THE XMCD SIGNAL 108 2.3.1. HEURISTIC MODEL: LJ T - L M EDGES OF TRANSITION METALS AND RARE EARTH ELEMENTS 108 2.3.2. CALCULATION OFP E FOR THE L N - L M EDGES: P E (L U ) AND P E (L M ) 109 2.3.3. CALCULATION OFPJOR THE K - L, EDGES: P E (K) AND P/L,) 112 2.4. MAGNITUDE OF THE XMCD SIGNAL 113 3. THE SUM RULES 114 4. XMCD SIGNAL AT THE K EDGES (IS * P) 117 5. XMCD AND LOCALIZED MAGNETISM (MULTIPLET APPROACH) 118 6. Z-II-III EDGES OF RARE EARTHS 121 7. MAGNETIC EXAFS 125 8. APPLICATION TO MULTILAYERS WITH GMR 126 9. STUDY OF HIGHLY CORRELATED [CE/LA/FE] AND [LA/CE/FEL MULTILAYERS 127 REFERENCES 128 TABLE OF CONTENTS VII 4 - EXTENDED X-RAY ABSORPTION FINE STRUCTURE B. LENGELER . . 131 1. INTRODUCTION 131 2. X-RAY ABSORPTION IN ISOLATED ATOMS 133 3. X-RAY ABSORPTION FINE STRUCTURE (XAFS) 136 3.1. X-RAY ABSORPTION FINE STRUCTURE: THE BASIC FORMULA 136 3.2. CORRECTIONS TO THE BASIC EXAFS FORMULA 141 3.2.1. SPHERICAL PHOTOELECTRON WAVE 142 3.2.2. MULTIPLE SCATTERING 142 3.3. SET-UP FOR MEASURING X-RAY ABSORPTION 143 3.4. XAFS DATA ANALYSIS 145 3.5. POSITION AND STRUCTURE OF THE ABSORPTION EDGE 149 4. SOME APPLICATIONS OF XAS 153 4.1. LATTICE DISTORTION AROUND IMPURITIES IN DILUTE ALLOYS 154 4.2. PRECIPITATION IN IMMISCIBLE GIANT MAGNETORESISTANCE AG]_ X NI X ALLOYS 155 4.3. LATTICE SITE LOCATION OF VERY LIGHT ELEMENTS IN METALS BY XAFS 158 4.4. VALENCE OF IRIDIUM IN ANODICALLY OXIDIZED IRIDIUM FILMS 160 4.5. COPPER-BASED METHANOL SYNTHESIS CATALYST 163 4.6. COMBINED X-RAY ABSORPTION AND X-RAY CRYSTALLOGRAPHY 165 REFERENCES 167 5 - INELASTIC X-RAY SCATTERING FROM COLLECTIVE ATOM DYNAMICS F. SETTE - M. KRISCH 169 1. INTRODUCTION 169 2. SCATTERING KINEMATICS AND INELASTIC X-RAY SCATTERING CROSS-SECTION 17 0 3. EXPERIMENTAL APPARATUS 175 4. THE FAST SOUND PHENOMENON IN LIQUID WATER 179 5. DETERMINATION OF THE LONGITUDINAL SOUND VELOCITY IN IRON TO 110 GPA 182 6. CONCLUSIONS AND OUTLOOK 186 REFERENCES! 187 6 - PHOTOELECTRON SPECTROSCOPY M. GRIONI 189 1. INTRODUCTION 189 2. WHAT IS PHOTOEMISSION? 190 3. PHOTOEMISSION IN THE SINGLE-PARTICLE LIMIT- BAND MAPPING 193 4. BEYOND THE SINGLE-PARTICLE APPROXIMATION 201 5. CASE STUDIES 209 5.1. FERMI LIQUID LINESHAPE IN A NORMAL METAL 209 5.2. GAP SPECTROSCOPY 215 5.3. ELECTRONIC INSTABILITIES IN LOW DIMENSIONS 220 5.4. SOME RECENT DEVELOPMENTS 229 6. CONCLUSIONS 235 REFERENCES 236 VIII NEUTRON AND X-RAY SPECTROSCOPY 7 - ANOMALOUS SCATTERING AND DIFFRACTION ANOMALOUS FINE STRUCTURE J.L. HODEAU - H. RENEVIER 239 1. ANOMALOUS SCATTERING, ABSORPTION AND REFRACTION 240 2. THEORETICAL VERSUS EXPERIMENTAL DETERMINATION OF ANOMALOUS CONTRIBUTION 24 1 3. APPLICATIONS OF ANOMALOUS DISPERSION 244 3.1. STRUCTURE FACTOR PHASE SOLUTION (MAD METHOD) 245 3.2. ELEMENT-SELECTIVE DIFFRACTION (CONTRAST METHOD) 247 4. DIFFRACTION ANOMALOUS FINE STRUCTURE DATA ANALYSIS 249 4.1. DAFS AND EDAFS FORMALISM 251 4.1.1. SINGLE ANOMALOUS SITE ANALYSIS 252 4.1.2. MULTIPLE ANOMALOUS SITE ANALYSIS 253 4.2. DAFS AND EDAFS DETERMINATION 255 4.3. DAFS AND DANES VALENCE DETERMINATION 258 4.4. ANISOTROPY OF ANOMALOUS SCATTERING 260 5. REQUIREMENTS FOR ANOMALOUS DIFFRACTION EXPERIMENTS 262 6. CONCLUSION 263 REFERENCES 264 8 - SOFT X-RAY PHOTOELECTRON EMISSION MICROSCOPY (X-PEEM) CM. SCHNEIDER 271 1. A NANOSCALE INTRODUCTION 271 2. VISUALIZING MICRO- AND NANOSTRUCTURES 271 3. TECHNICAL ASPECTS OF AN ELECTRON EMISSION MICROSCOPE (EEM) 273 3.1. ELECTRON-OPTICAL CONSIDERATIONS 273 3.2. TRANSMISSION AND LATERAL RESOLUTION 275 4. NON-MAGNETIC IMAGE CONTRAST IN X-PEEM 276 4.1. PRIMARY CONTRAST MECHANISMS 276 4.1.1. WORK FUNCTION CONTRAST 276 4.1.2. CHEMICAL CONTRAST 277 4.2. SECONDARY CONTRAST MECHANISMS 280 5. MAGNETIC CONTRAST IN X-PEEM 281 5.1. MAGNETIC X-RAY CIRCULAR DICHROISM (XMCD) 282 5.1.1. PHYSICS OF THE MAGNETIC CONTRAST MECHANISM 282 5.1.2. CONTRAST ENHANCEMENT 284 5.1.3. ANGULAR DEPENDENCE OF THE IMAGE CONTRAST 285 5.1.4. MAGNETIC DOMAIN WALLS 286 5.1.5. INFORMATION DEPTH 288 5.2. X-RAY MAGNETIC LINEAR DICHROISM (XMLD) 290 5.2.1. PROPERTIES OF THE CONTRAST MECHANISM 290 5.2.2. IMAGING DOMAINS IN ANTIFERROMAGNETS 291 6. CONCLUDING REMARKS 292 REFERENCES 293 TABLE OF CONTENTS IX 9 - X-RAY INTENSITY FLUCTUATION SPECTROSCOPY M.SUTTON 297 1. INTRODUCTION 297 2. MUTUAL COHERENCE FUNCTIONS 301 3. DIFFRACTION BY PARTIALLY COHERENT SOURCES 304 4. KINETICS OF MATERIALS 308 5. X-RAY INTENSITY FLUCTUATION SPECTROSCOPY 310 6. CONCLUSIONS 316 REFERENCES 317 10 - VIBRATIONAL SPECTROSCOPY AT SURFACES AND INTERFACES USING SYNCHROTRON SOURCES AND FREE ELECTRON LASERS A. TADJEDDINE - P. DUMAS 319 1. INTRODUCTION 319 2. INFRARED SYNCHROTRON SOURCE AND FREE ELECTRON LASERS 321 2.1. INFRARED SYNCHROTRON SOURCES 321 2.1.1. PRINCIPLES 321 2.1.2. EXTRACTION OF THE IR BEAM FROM THE SYNCHROTRON RING 324 2.1.3. FOURIER TRANSFORM INTERFEROMETER 324 2.2. NON LINEAR SURFACE SPECTROSCOPY WITH CONVENTIONAL AND FREE ELECTRON LASERS 325 2.2.1. PRINCIPLE OF SFG 326 2.2.2. EXPERIMENTAL SFG SET-UP 328 2.2.3. THE CLIO-FEL INFRARED LASER 328 3. EXAMPLES OF APPLICATIONS IN SURFACE SCIENCE 331 3.1. SYNCHROTRON INFRARED SPECTROSCOPY AT SURFACES 331 3.1.1. LOW FREQUENCY MODES OF ADSORBED MOLECULES AND ATOMS 333 3.1.2. VIBRATIONAL DYNAMICS OF LOW FREQUENCY MODES 335 3.2. SUM FREQUENCY AND DIFFERENCE FREQUENCY GENERATION AT INTERFACES 339 3.2.1. IDENTIFICATION OF ADSORBED INTERMEDIATE OF ELECTROCHEMICAL REACTIONS BY SFG 340 3.2.2. VIBRATIONAL SPECTROSCOPY OF CYANIDE AT METAL-ELECTROLYTE INTERFACE 342 3.2.3. VIBRATIONAL SPECTROSCOPY OF SELF-ASSEMBLED MONOLAYERS ON METAL SUBSTRATE 346 3.2.4. VIBRATIONAL SPECTROSCOPY OFFULLERENES C(,Q, ADSORBED ON AG(L 11), IN UHV ENVIRONMENT 348 3.2.5. ADSORPTION OF 4-CYANOPYRIDINE ON AU(LLL) MONITORED BY SFG 352 4. CONCLUSION AND OUTLOOK 356 REFERENCES 356 X , NEUTRON AND X-RAY SPECTROSCOPY NEUTRON SPECTROSCOPY 11 - INELASTIC NEUTRON SCATTERING: INTRODUCTION R. SCHERM - B. FDK 361 1. INTERACTION OF NEUTRONS WITH MATTER 361 2. KINEMATICS 362 2.1. ENERGY AND MOMENTUM CONSERVATION 362 2.2. SCATTERING TRIANGLE 363 2.3. PARABOLAS 364 3. MASTER EQUATION AND S(Q,U ) 364 4. CORRELATION FUNCTION 366 5. COHERENT AND INCOHERENT SCATTERING 367 6. GENERAL PROPERTIES OF S(Q,O) 369 6.1. DETAILED BALANCE 369 6.2. MOMENTS 370 6.3. TOTAL VERSUS ELASTIC SCATTERING 371 7. MAGNETIC SCATTERING 372 8. RESPONSE FROM SIMPLE SYSTEMS 373 8.1. EXAMPLES 373 8.2. RESPONSE FUNCTIONS 375 9. INSTRUMENTATION 376 9.1. TAS 378 9.2. TOF 379 10. HOW TO BEAT STATISTICS 379 REFERENCES 380 12 - THREE-AXIS INELASTIC NEUTRON SCATTERING R. CURRAT 383 1. PRINCIPLE OF THE TECHNIQUE 383 2. THE THREE-AXIS SPECTROMETER 386 3. THE TOF VERSUS TAS CHOICE 391 4. WHAT DETERMINES THE TAS COUNT RATE? 394 5. WHAT DETERMINES THE SIZE AND SHAPE OF THE RESOLUTION FUNCTION? 396 6. DECOUPLING ENERGY AND MOMENTUM RESOLUTIONS: DIRECT SPACE FOCUSING 400 7. TAS MULTIPLEXING 403 8. PHONON STUDIES WITH TAS 408 9. THE INS VERSUS IXS CHOICE 412 10. MAGNETIC EXCITATION STUDIES WITH TAS 415 11. PRACTICAL ASPECTS 420 12. SUMMARY AND OUTLOOK 422 REFERENCES 423 TABLE OF CONTENTS _ XI 13 - NEUTRON SPIN ECHO SPECTROSCOPY R. CYWINSKI : 427 1. INTRODUCTION 427 2. POLARIZED NEUTRON BEAMS, LARMOR PRECESSION AND SPIN FLIPPERS 428 3. GENERALIZED NEUTRON SPIN ECHO 432 4. POLARIZATION DEPENDENT SCATTERING PROCESSES 436 5. PRACTICALITIES: MEASUREMENT OF THE SPIN ECHO SIGNAL 440 6. APPLICATIONS OF NEUTRON SPIN ECHO SPECTROSCOPY 444 6.1. SOFT CONDENSED MATTER 444 6.2. GLASSY DYNAMICS 447 6.3. SPIN RELAXATION IN MAGNETIC SYSTEMS 449 7. CONCLUSIONS 453 BIBLIOGRAPHY 453 REFERENCES 454 14 - TIME-OF-FLIGHT INELASTIC SCATTERING R.ECCLESTON 457 1. INTRODUCTION 457 2. CLASSES OF TOF SPECTROMETERS 458 2.1. DISTANCE-TIME PLOTS 458 2.2. KINEMATIC RANGE 460 3. BEAMLINE COMPONENTS 461 3.1. CHOPPERS 461 3.1.1. FERMI CHOPPERS 462 3.1.2. DISK CHOPPERS 462 3.1.4. T=0CHOPPERS 462 3.2. MONOCHROMATING AND ANALYZING CRYSTALS 463 3.3. FILTERS 463 3.4. DETECTORS 464 3.5. NEUTRON GUIDES 464 3.6. POLARIZERS AND POLARIZATION ANALYSIS 465 4. DIRECT GEOMETRY SPECTROMETERS 465 4.1. CHOPPER SPECTROMETER ON A PULSED SOURCE 465 4.2! CHOPPER SPECTROMETERS ON A STEADY STATE SOURCE 466 4.3. MULTI-CHOPPER TOF SPECTROMETERS 467 5. RESOLUTION AND SPECTROMETER OPTIMIZATION 469 6. FLUX 470 7. RESOLUTION AS A FUNCTION OF ENERGY TRANSFER AND EXPERIMENTAL CONSIDERATIONS 471 SINGLE CRYSTAL EXPERIMENTS ON A CHOPPER SPECTROMETER 472 8. INDIRECT GEOMETRY SPECTROMETERS 474 8.1. THE RESOLUTION OF INDIRECT GEOMETRY SPECTROMETERS 475 8.2. BACKSCATTERING SPECTROMETER 475 8.3. CRYSTAL ANALYZER SPECTROMETERS 477 XII NEUTRON AND X-RAY SPECTROSCOPY 8.4. DEEP INELASTIC NEUTRON SCATTERING 478 8.5. COHERENT EXCITATIONS 479 9. CONCLUSIONS 480 FURTHER INFORMATION 481 REFERENCES 481 15 - NEUTRON BACKSCATTERING SPECTROSCOPY B. FRICK 483 1. INTRODUCTION 483 2. REFLECTION FROM PERFECT CRYSTALS AND ITS ENERGY RESOLUTION 485 3. GENERIC BACKSCATTERING SPECTROMETER CONCEPTS 488 3.1. NEUTRON OPTICS OF THE PRIMARY SPECTROMETERS OF REACTOR-BS INSTRUMENTS 489 3.2. NEUTRON OPTICS OF THE PRIMARY SPECTROMETER OF SPALLATION SOURCE-BS INSTRUMENTS ...493 3.3. SECONDARY SPECTROMETER 493 4. TOTAL ENERGY RESOLUTION OF THE SPECTROMETERS 49 4 5. HOW TO DO SPECTROSCOPY? 494 5.1. SPECTROSCOPY ON REACTOR BASED INSTRUMENTS 494 5.2. SPECTROSCOPY ON SPALLATION SOURCE-BS INSTRUMENTS 497 6. MORE DETAILS ON OPTICAL COMPONENTS 498 6.1. BS MONOCHROMATORS AND ANALYZERS 498 6.2. HOW TO OBTAIN THE BEST ENERGY RESOLUTION IN BACKSCATTERING? 499 6.3. MOSAIC CRYSTAL DEFLECTORS AND PHASE SPACE TRANSFORMER 500 6.4. NEUTRON GUIDES 503 6.5. HIGHER ORDER SUPPRESSION 503 6.6. G-RESOLUTION 504 6.7. A SECOND TIME THROUGH THE SAMPLE? 504 7. EXAMPLES FOR BACKSCATTERING INSTRUMENTS 505 7.1. REACTOR INSTRUMENTS 505 7.2. SPALLATION SOURCE INSTRUMENTS 509 8. DATA TREATMENT 511 9. TYPICAL MEASURING METHODS AND EXAMPLES 513 9.1. FIXED WINDOW SCANS 513 9.2. SPECTROSCOPY 516 REFERENCES 525 16 - NEUTRON INELASTIC SCATTERING AND MOLECULAR MODELLING M.R. JOHNSON - G.J. KEARLEY-H.P. TROMMSDORFF. 529 1. INTRODUCTION 529 2. THEORY FRAMEWORK FOR TUNNELLING, VIBRATIONS AND TOTAL ENERGY CALCULATIONS 532 2.1. HAMILTONIANS FOR QUANTUM TUNNELLING 532 2.2. THE DYNAMICAL MATRIX FOR MOLECULAR VIBRATIONS 536 2.3. TOTAL ENERGY CALCULATIONS FOR DETERMINING PES AND FORCE CONSTANTS 538 3. EXPERIMENTAL TECHNIQUES FOR MEASURING ROTATIONAL TUNNELLING AND MOLECULAR VIBRATIONS 540 TABLE OF CONTENTS XIII 4. NUMERICAL SIMULATIONS FOR UNDERSTANDING INS SPECTRA 544 4.1. SPM METHYL GROUP TUNNELLING 544 4.2. MULTI-DIMENSIONAL TUNNELLING DYNAMICS OF METHYL GROUPS 546 4.3. VIBRATIONAL SPECTROSCOPY OF MOLECULAR CRYSTALS 547 5. DISCUSSION 551 REFERENCES 553 INDEX 557
adam_txt	NEUTRON AND X-RAY SPECTROSCOPY TU DARMSTADT TEILBIB!IOF H E E' TABLE OF CONTENTS CONTRIBUTORS XV FOREWORD XIX INTRODUCTION XXI X-RAY SPECTROSCOPY 1 - FUNDAMENTALS OF X-RAY ABSORPTION AND DICHROISM: THE MULTIPLET APPROACH F. DE GROOT-J. VOGEL 3 1. INTRODUCTION 4 1.1. INTERACTION OF X-RAYS WITH MATTER 4 1.2. BASICS OF XAFS SPECTROSCOPY .6 1.3. EXPERIMENTAL ASPECTS 9 2. MULTIPLET EFFECTS 11 2.1. ATOMIC MULTIPLETS 14 2.1.1. TERM SYMBOLS 14 2.1.2. MATRIX ELEMENTS 18 2.2. ATOMIC MULTIPLET GROUND STATES OF 3D" SYSTEMS 20 2.3. J -J COUPLING 20 2.4. X-RAY ABSORPTION SPECTRA DESCRIBED WITH ATOMIC MULTIPLETS 21 2.4.1. TRANSITION METAL //./// EDGE 21 2.4.2. M IV . V EDGES OF RARE EARTHS 28 3. CRYSTAL FIELD THEORY 31 3.1. THE CRYSTAL FIELD MULTIPLET HAMILTONIAN 32 3.2. CUBIC CRYSTAL FIELDS 33 3.3. THE ENERGIES OF THE 3D" CONFIGURATIONS 36 3.3.1. SYMMETRY EFFECTS IN D 4H SYMMETRY 40 3.3.2. THE EFFECT OF THE 3D SPIN-ORBIT COUPLING. 40 3.3.3. THE EFFECTS ON THE X-RAY ABSORPTION CALCULATIONS 42 3.3.4. 3D SYSTEMS IN OCTAHEDRAL SYMMETRY 42 3.3.5. 3D 0 SYSTEMS IN LOWER SYMMETRIES 45 3.3.6. X-RAY ABSORPTION SPECTRA OF 3D" SYSTEMS 46 4. CHARGE TRANSFER EFFECTS 47 4.1. INITIAL STATE EFFECTS 47 4.2. FINAL STATE EFFECTS 52 4.3. THE X-RAY ABSORPTION SPECTRUM WITH CHARGE TRANSFER EFFECTS 53 5. X-RAY LINEAR AND CIRCULAR DICHROISM 59 REFERENCES 64 V VI NEUTRON AND X-RAY SPECTROSCOPY 2 - MULTIPLE SCATTERING THEORY APPLIED TO X-RAY ABSORPTION NEAR-EDGE STRUCTURE P. SAINCTAVIT - D. CABARET - V. BRIOIS 67 1. INTRODUCTION 67 2. MST FOR REAL SPACE CALCULATIONS 70 2.1. THE ABSORPTION CROSS-SECTION ; 71 2.2. CALCULATION OF THE CROSS-SECTION FOR THREE DIFFERENT POTENTIALS 73 2.2.1. FREE PARTICLE 73 2.2.2. PARTICLE IN A SPHERICAL POTENTIAL 75 2.2.3. PARTICLE IN A "MUFFIN-TIN"POTENTIAL 78 3. CONSTRUCTION OF THE POTENTIAL 83 3.1. X-A EXCHANGE POTENTIAL 85 3.2. DIRAC-HARA EXCHANGE POTENTIAL 85 3.3. COMPLEX HEDIN-LUNDQVIST EXCHANGE AND CORRELATION POTENTIAL 87 4. APPLICATION OF THE MULTIPLE SCATTERING THEORY 89 4.1. VANADIUM K EDGE CROSS-SECTION FOR VO 6 CLUSTER 90 4.2. IRON K EDGE CROSS-SECTION FOR FEO^ CLUSTER 93 4.3. CROSS-SECTION CALCULATIONS IN DISTORTED OCTAHEDRA 94 5. SPIN TRANSITION IN FE N (O-PHENANTROLINE) 2 (NCS) 2 FOLLOWED AT THE IRON K EDGE 95 6. CONCLUSION 97 APPENDIX - EXPRESSION FOR THE PROPAGATORS J[[, AND H^J. 97 ACKNOWLEDGMENTS 99 REFERENCES 100 3 - X-RAY MAGNETIC CIRCULAR DICHROISM F. BANDELET 103 1. INTRODUCTION 103 2. ORIGINS OF MAGNETIC CIRCULAR DICHROISM 104 2.1. THEORETICAL ASPECTS: ROLE OF THE SPIN-ORBIT COUPLING 104 2.2. LIGHT POLARIZATION AND POLARIZATION-DEPENDENT SELECTION RULES 106 2.3. ORIGIN OF THE XMCD SIGNAL 108 2.3.1. HEURISTIC MODEL: LJ T - L M EDGES OF TRANSITION METALS AND RARE EARTH ELEMENTS 108 2.3.2. CALCULATION OFP E FOR THE L N - L M EDGES: P E (L U ) AND P E (L M ) 109 2.3.3. CALCULATION OFPJOR THE K - L, EDGES: P E (K) AND P/L,) 112 2.4. MAGNITUDE OF THE XMCD SIGNAL 113 3. THE SUM RULES 114 4. XMCD SIGNAL AT THE K EDGES (IS * P) 117 5. XMCD AND LOCALIZED MAGNETISM (MULTIPLET APPROACH) 118 6. Z-II-III EDGES OF RARE EARTHS 121 7. MAGNETIC EXAFS 125 8. APPLICATION TO MULTILAYERS WITH GMR 126 9. STUDY OF HIGHLY CORRELATED [CE/LA/FE] AND [LA/CE/FEL MULTILAYERS 127 REFERENCES 128 TABLE OF CONTENTS VII 4 - EXTENDED X-RAY ABSORPTION FINE STRUCTURE B. LENGELER .'. 131 1. INTRODUCTION 131 2. X-RAY ABSORPTION IN ISOLATED ATOMS 133 3. X-RAY ABSORPTION FINE STRUCTURE (XAFS) 136 3.1. X-RAY ABSORPTION FINE STRUCTURE: THE BASIC FORMULA 136 3.2. CORRECTIONS TO THE BASIC EXAFS FORMULA 141 3.2.1. SPHERICAL PHOTOELECTRON WAVE 142 3.2.2. MULTIPLE SCATTERING 142 3.3. SET-UP FOR MEASURING X-RAY ABSORPTION 143 3.4. XAFS DATA ANALYSIS 145 3.5. POSITION AND STRUCTURE OF THE ABSORPTION EDGE 149 4. SOME APPLICATIONS OF XAS 153 4.1. LATTICE DISTORTION AROUND IMPURITIES IN DILUTE ALLOYS 154 4.2. PRECIPITATION IN IMMISCIBLE GIANT MAGNETORESISTANCE AG]_ X NI X ALLOYS 155 4.3. LATTICE SITE LOCATION OF VERY LIGHT ELEMENTS IN METALS BY XAFS 158 4.4. VALENCE OF IRIDIUM IN ANODICALLY OXIDIZED IRIDIUM FILMS 160 4.5. COPPER-BASED METHANOL SYNTHESIS CATALYST 163 4.6. COMBINED X-RAY ABSORPTION AND X-RAY CRYSTALLOGRAPHY 165 REFERENCES 167 5 - INELASTIC X-RAY SCATTERING FROM COLLECTIVE ATOM DYNAMICS F. SETTE - M. KRISCH 169 1. INTRODUCTION 169 2. SCATTERING KINEMATICS AND INELASTIC X-RAY SCATTERING CROSS-SECTION 17 0 3. EXPERIMENTAL APPARATUS 175 4. THE "FAST SOUND" PHENOMENON IN LIQUID WATER 179 5. DETERMINATION OF THE LONGITUDINAL SOUND VELOCITY IN IRON TO 110 GPA 182 6. CONCLUSIONS AND OUTLOOK 186 REFERENCES! 187 6 - PHOTOELECTRON SPECTROSCOPY M. GRIONI 189 1. INTRODUCTION 189 2. WHAT IS PHOTOEMISSION? 190 3. PHOTOEMISSION IN THE SINGLE-PARTICLE LIMIT- BAND MAPPING 193 4. BEYOND THE SINGLE-PARTICLE APPROXIMATION 201 5. CASE STUDIES 209 5.1. FERMI LIQUID LINESHAPE IN A NORMAL METAL 209 5.2. GAP SPECTROSCOPY 215 5.3. ELECTRONIC INSTABILITIES IN LOW DIMENSIONS 220 5.4. SOME RECENT DEVELOPMENTS 229 6. CONCLUSIONS 235 REFERENCES 236 VIII NEUTRON AND X-RAY SPECTROSCOPY 7 - ANOMALOUS SCATTERING AND DIFFRACTION ANOMALOUS FINE STRUCTURE J.L. HODEAU - H. RENEVIER 239 1. ANOMALOUS SCATTERING, ABSORPTION AND REFRACTION 240 2. THEORETICAL VERSUS EXPERIMENTAL DETERMINATION OF ANOMALOUS CONTRIBUTION 24 1 3. APPLICATIONS OF ANOMALOUS DISPERSION 244 3.1. STRUCTURE FACTOR PHASE SOLUTION (MAD METHOD) 245 3.2. ELEMENT-SELECTIVE DIFFRACTION (CONTRAST METHOD) 247 4. DIFFRACTION ANOMALOUS FINE STRUCTURE DATA ANALYSIS 249 4.1. DAFS AND EDAFS FORMALISM 251 4.1.1. SINGLE ANOMALOUS SITE ANALYSIS 252 4.1.2. MULTIPLE ANOMALOUS SITE ANALYSIS 253 4.2. DAFS AND EDAFS DETERMINATION 255 4.3. DAFS AND DANES VALENCE DETERMINATION 258 4.4. ANISOTROPY OF ANOMALOUS SCATTERING 260 5. REQUIREMENTS FOR ANOMALOUS DIFFRACTION EXPERIMENTS 262 6. CONCLUSION 263 REFERENCES 264 8 - SOFT X-RAY PHOTOELECTRON EMISSION MICROSCOPY (X-PEEM) CM. SCHNEIDER 271 1. A "NANOSCALE" INTRODUCTION 271 2. VISUALIZING MICRO- AND NANOSTRUCTURES 271 3. TECHNICAL ASPECTS OF AN ELECTRON EMISSION MICROSCOPE (EEM) 273 3.1. ELECTRON-OPTICAL CONSIDERATIONS 273 3.2. TRANSMISSION AND LATERAL RESOLUTION 275 4. NON-MAGNETIC IMAGE CONTRAST IN X-PEEM 276 4.1. PRIMARY CONTRAST MECHANISMS 276 4.1.1. WORK FUNCTION CONTRAST 276 4.1.2. CHEMICAL CONTRAST 277 4.2. SECONDARY CONTRAST MECHANISMS 280 5. MAGNETIC CONTRAST IN X-PEEM 281 5.1. MAGNETIC X-RAY CIRCULAR DICHROISM (XMCD) 282 5.1.1. PHYSICS OF THE MAGNETIC CONTRAST MECHANISM 282 5.1.2. CONTRAST ENHANCEMENT 284 5.1.3. ANGULAR DEPENDENCE OF THE IMAGE CONTRAST 285 5.1.4. MAGNETIC DOMAIN WALLS 286 5.1.5. INFORMATION DEPTH 288 5.2. X-RAY MAGNETIC LINEAR DICHROISM (XMLD) 290 5.2.1. PROPERTIES OF THE CONTRAST MECHANISM 290 5.2.2. IMAGING DOMAINS IN ANTIFERROMAGNETS 291 6. CONCLUDING REMARKS 292 REFERENCES 293 TABLE OF CONTENTS IX 9 - X-RAY INTENSITY FLUCTUATION SPECTROSCOPY M.SUTTON 297 1. INTRODUCTION 297 2. MUTUAL COHERENCE FUNCTIONS 301 3. DIFFRACTION BY PARTIALLY COHERENT SOURCES 304 4. KINETICS OF MATERIALS 308 5. X-RAY INTENSITY FLUCTUATION SPECTROSCOPY 310 6. CONCLUSIONS 316 REFERENCES 317 10 - VIBRATIONAL SPECTROSCOPY AT SURFACES AND INTERFACES USING SYNCHROTRON SOURCES AND FREE ELECTRON LASERS A. TADJEDDINE - P. DUMAS 319 1. INTRODUCTION 319 2. INFRARED SYNCHROTRON SOURCE AND FREE ELECTRON LASERS 321 2.1. INFRARED SYNCHROTRON SOURCES 321 2.1.1. PRINCIPLES 321 2.1.2. EXTRACTION OF THE IR BEAM FROM THE SYNCHROTRON RING 324 2.1.3. FOURIER TRANSFORM INTERFEROMETER 324 2.2. NON LINEAR SURFACE SPECTROSCOPY WITH CONVENTIONAL AND FREE ELECTRON LASERS 325 2.2.1. PRINCIPLE OF SFG 326 2.2.2. EXPERIMENTAL SFG SET-UP 328 2.2.3. THE CLIO-FEL INFRARED LASER 328 3. EXAMPLES OF APPLICATIONS IN SURFACE SCIENCE 331 3.1. SYNCHROTRON INFRARED SPECTROSCOPY AT SURFACES 331 3.1.1. LOW FREQUENCY MODES OF ADSORBED MOLECULES AND ATOMS 333 3.1.2. VIBRATIONAL DYNAMICS OF LOW FREQUENCY MODES 335 3.2. SUM FREQUENCY AND DIFFERENCE FREQUENCY GENERATION AT INTERFACES 339 3.2.1. IDENTIFICATION OF ADSORBED INTERMEDIATE OF ELECTROCHEMICAL REACTIONS BY SFG 340 3.2.2. VIBRATIONAL SPECTROSCOPY OF CYANIDE AT METAL-ELECTROLYTE INTERFACE 342 3.2.3. VIBRATIONAL SPECTROSCOPY OF SELF-ASSEMBLED MONOLAYERS ON METAL SUBSTRATE 346 3.2.4. VIBRATIONAL SPECTROSCOPY OFFULLERENES C(,Q, ADSORBED ON AG(L 11), IN UHV ENVIRONMENT 348 3.2.5. ADSORPTION OF 4-CYANOPYRIDINE ON AU(LLL) MONITORED BY SFG 352 4. CONCLUSION AND OUTLOOK 356 REFERENCES 356 X , NEUTRON AND X-RAY SPECTROSCOPY NEUTRON SPECTROSCOPY 11 - INELASTIC NEUTRON SCATTERING: INTRODUCTION R. SCHERM - B. FDK 361 1. INTERACTION OF NEUTRONS WITH MATTER 361 2. KINEMATICS 362 2.1. ENERGY AND MOMENTUM CONSERVATION 362 2.2. SCATTERING TRIANGLE 363 2.3. PARABOLAS 364 3. MASTER EQUATION AND S(Q,U ) 364 4. CORRELATION FUNCTION 366 5. COHERENT AND INCOHERENT SCATTERING 367 6. GENERAL PROPERTIES OF S(Q,O) 369 6.1. DETAILED BALANCE 369 6.2. MOMENTS 370 6.3. TOTAL VERSUS ELASTIC SCATTERING 371 7. MAGNETIC SCATTERING 372 8. RESPONSE FROM SIMPLE SYSTEMS 373 8.1. EXAMPLES 373 8.2. RESPONSE FUNCTIONS 375 9. INSTRUMENTATION 376 9.1. TAS 378 9.2. TOF 379 10. HOW TO BEAT STATISTICS 379 REFERENCES 380 12 - THREE-AXIS INELASTIC NEUTRON SCATTERING R. CURRAT 383 1. PRINCIPLE OF THE TECHNIQUE 383 2. THE THREE-AXIS SPECTROMETER 386 3. THE TOF VERSUS TAS CHOICE 391 4. WHAT DETERMINES THE TAS COUNT RATE? 394 5. WHAT DETERMINES THE SIZE AND SHAPE OF THE RESOLUTION FUNCTION? 396 6. DECOUPLING ENERGY AND MOMENTUM RESOLUTIONS: DIRECT SPACE FOCUSING 400 7. TAS MULTIPLEXING 403 8. PHONON STUDIES WITH TAS 408 9. THE INS VERSUS IXS CHOICE 412 10. MAGNETIC EXCITATION STUDIES WITH TAS 415 11. PRACTICAL ASPECTS 420 12. SUMMARY AND OUTLOOK 422 REFERENCES 423 TABLE OF CONTENTS _ XI 13 - NEUTRON SPIN ECHO SPECTROSCOPY R. CYWINSKI : 427 1. INTRODUCTION 427 2. POLARIZED NEUTRON BEAMS, LARMOR PRECESSION AND SPIN FLIPPERS 428 3. GENERALIZED NEUTRON SPIN ECHO 432 4. POLARIZATION DEPENDENT SCATTERING PROCESSES 436 5. PRACTICALITIES: MEASUREMENT OF THE SPIN ECHO SIGNAL 440 6. APPLICATIONS OF NEUTRON SPIN ECHO SPECTROSCOPY 444 6.1. SOFT CONDENSED MATTER 444 6.2. GLASSY DYNAMICS 447 6.3. SPIN RELAXATION IN MAGNETIC SYSTEMS 449 7. CONCLUSIONS 453 BIBLIOGRAPHY 453 REFERENCES 454 14 - TIME-OF-FLIGHT INELASTIC SCATTERING R.ECCLESTON 457 1. INTRODUCTION 457 2. CLASSES OF TOF SPECTROMETERS 458 2.1. DISTANCE-TIME PLOTS 458 2.2. KINEMATIC RANGE 460 3. BEAMLINE COMPONENTS 461 3.1. CHOPPERS 461 3.1.1. FERMI CHOPPERS 462 3.1.2. DISK CHOPPERS 462 3.1.4. T=0CHOPPERS 462 3.2. MONOCHROMATING AND ANALYZING CRYSTALS 463 3.3. FILTERS 463 3.4. DETECTORS 464 3.5. NEUTRON GUIDES 464 3.6. POLARIZERS AND POLARIZATION ANALYSIS 465 4. DIRECT GEOMETRY SPECTROMETERS 465 4.1. CHOPPER SPECTROMETER ON A PULSED SOURCE 465 4.2!"CHOPPER SPECTROMETERS ON A STEADY STATE SOURCE 466 4.3. MULTI-CHOPPER TOF SPECTROMETERS 467 5. RESOLUTION AND SPECTROMETER OPTIMIZATION 469 6. FLUX 470 7. RESOLUTION AS A FUNCTION OF ENERGY TRANSFER AND EXPERIMENTAL CONSIDERATIONS 471 SINGLE CRYSTAL EXPERIMENTS ON A CHOPPER SPECTROMETER 472 8. INDIRECT GEOMETRY SPECTROMETERS 474 8.1. THE RESOLUTION OF INDIRECT GEOMETRY SPECTROMETERS 475 8.2. BACKSCATTERING SPECTROMETER 475 8.3. CRYSTAL ANALYZER SPECTROMETERS 477 XII NEUTRON AND X-RAY SPECTROSCOPY 8.4. DEEP INELASTIC NEUTRON SCATTERING 478 8.5. COHERENT EXCITATIONS 479 9. CONCLUSIONS 480 FURTHER INFORMATION 481 REFERENCES 481 15 - NEUTRON BACKSCATTERING SPECTROSCOPY B. FRICK 483 1. INTRODUCTION 483 2. REFLECTION FROM PERFECT CRYSTALS AND ITS ENERGY RESOLUTION 485 3. GENERIC BACKSCATTERING SPECTROMETER CONCEPTS 488 3.1. NEUTRON OPTICS OF THE PRIMARY SPECTROMETERS OF REACTOR-BS INSTRUMENTS 489 3.2. NEUTRON OPTICS OF THE PRIMARY SPECTROMETER OF SPALLATION SOURCE-BS INSTRUMENTS .493 3.3. SECONDARY SPECTROMETER 493 4. TOTAL ENERGY RESOLUTION OF THE SPECTROMETERS 49 4 5. HOW TO DO SPECTROSCOPY? 494 5.1. SPECTROSCOPY ON REACTOR BASED INSTRUMENTS 494 5.2. SPECTROSCOPY ON SPALLATION SOURCE-BS INSTRUMENTS 497 6. MORE DETAILS ON OPTICAL COMPONENTS 498 6.1. BS MONOCHROMATORS AND ANALYZERS 498 6.2. HOW TO OBTAIN THE BEST ENERGY RESOLUTION IN BACKSCATTERING? 499 6.3. MOSAIC CRYSTAL DEFLECTORS AND PHASE SPACE TRANSFORMER 500 6.4. NEUTRON GUIDES 503 6.5. HIGHER ORDER SUPPRESSION 503 6.6. G-RESOLUTION 504 6.7. A SECOND TIME THROUGH THE SAMPLE? 504 7. EXAMPLES FOR BACKSCATTERING INSTRUMENTS 505 7.1. REACTOR INSTRUMENTS 505 7.2. SPALLATION SOURCE INSTRUMENTS 509 8. DATA TREATMENT 511 9. TYPICAL MEASURING METHODS AND EXAMPLES 513 9.1. FIXED WINDOW SCANS 513 9.2. SPECTROSCOPY 516 REFERENCES 525 16 - NEUTRON INELASTIC SCATTERING AND MOLECULAR MODELLING M.R. JOHNSON - G.J. KEARLEY-H.P. TROMMSDORFF. 529 1. INTRODUCTION 529 2. THEORY FRAMEWORK FOR TUNNELLING, VIBRATIONS AND TOTAL ENERGY CALCULATIONS 532 2.1. HAMILTONIANS FOR QUANTUM TUNNELLING 532 2.2. THE DYNAMICAL MATRIX FOR MOLECULAR VIBRATIONS 536 2.3. TOTAL ENERGY CALCULATIONS FOR DETERMINING PES AND FORCE CONSTANTS 538 3. EXPERIMENTAL TECHNIQUES FOR MEASURING ROTATIONAL TUNNELLING AND MOLECULAR VIBRATIONS 540 TABLE OF CONTENTS XIII 4. NUMERICAL SIMULATIONS FOR UNDERSTANDING INS SPECTRA 544 4.1. SPM METHYL GROUP TUNNELLING 544 4.2. MULTI-DIMENSIONAL TUNNELLING DYNAMICS OF METHYL GROUPS 546 4.3. VIBRATIONAL SPECTROSCOPY OF MOLECULAR CRYSTALS 547 5. DISCUSSION 551 REFERENCES 553 INDEX 557
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index_date	2024-07-02T13:51:56Z
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spelling	Neutron and x-ray spectroscopy ed. by Françoise Hippert ... Dordrecht Springer 2006 XXIV, 566 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Grenoble sciences Neutrons - Diffusion Neutrons - Spectre Spectroscopie des rayons X Neutrons Scattering Neutrons Spectra X-ray spectroscopy Neutronenspektroskopie (DE-588)4328602-1 gnd rswk-swf Röntgenspektroskopie (DE-588)4050331-8 gnd rswk-swf Neutronenspektroskopie (DE-588)4328602-1 s DE-604 Röntgenspektroskopie (DE-588)4050331-8 s Hippert, Françoise Sonstige oth HEBIS Datenaustausch Darmstadt application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=014619182&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis
spellingShingle	Neutron and x-ray spectroscopy Neutrons - Diffusion Neutrons - Spectre Spectroscopie des rayons X Neutrons Scattering Neutrons Spectra X-ray spectroscopy Neutronenspektroskopie (DE-588)4328602-1 gnd Röntgenspektroskopie (DE-588)4050331-8 gnd
subject_GND	(DE-588)4328602-1 (DE-588)4050331-8
title	Neutron and x-ray spectroscopy
title_auth	Neutron and x-ray spectroscopy
title_exact_search	Neutron and x-ray spectroscopy
title_exact_search_txtP	Neutron and x-ray spectroscopy
title_full	Neutron and x-ray spectroscopy ed. by Françoise Hippert ...
title_fullStr	Neutron and x-ray spectroscopy ed. by Françoise Hippert ...
title_full_unstemmed	Neutron and x-ray spectroscopy ed. by Françoise Hippert ...
title_short	Neutron and x-ray spectroscopy
title_sort	neutron and x ray spectroscopy
topic	Neutrons - Diffusion Neutrons - Spectre Spectroscopie des rayons X Neutrons Scattering Neutrons Spectra X-ray spectroscopy Neutronenspektroskopie (DE-588)4328602-1 gnd Röntgenspektroskopie (DE-588)4050331-8 gnd
topic_facet	Neutrons - Diffusion Neutrons - Spectre Spectroscopie des rayons X Neutrons Scattering Neutrons Spectra X-ray spectroscopy Neutronenspektroskopie Röntgenspektroskopie
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=014619182&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
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