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Reviews in mineralogy and geochemistry ;.
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Оглавление
- Table of Contents
- 1. Modern X-ray Diffraction Methods in Mineralogy and Geosciences
- INTRODUCTION
- GENERAL ASPECTS
- Brief introduction to X-ray diffraction theory
- Ideal structures, real structures, liquids
- Information obtained from X-ray diffraction experiments
- X-ray: characteristics, sources, choice
- X-RAY DIFFRACTION TECHNIQUES
- Single crystal monochromatic diffraction (SXD)
- Laue method
- Powder diffraction
- Peak and whole pattern fitting
- The atomic pair distribution function technique (PDF)
- ACKNOWLEDGMENTS
- REFERENCES
- 2. Fundamentals of XAFS
- INTRODUCTION
- X-RAY ABSORPTION AND FLUORESCENCE
- A SIMPLE THEORETICAL DESCRIPTION OF XAFS
- A rough explanation of the EXAFS equation
- The EXAFS ?(E) is proportional to the amplitude of the scattered photoelectron at the absorbing atom
- ?(k): The inelastic mean free path
- S : intrinsic losses
- Multiple scattering of the photoelectron
- Disorder terms and g(R)
- Discussion
- XAFS MEASUREMENTS: TRANSMISSION AND FLUORESCENCE
- Transmission XAFS measurements
- Fluorescence and electron yield XAFS measurements
- Self-absorption (or over-absorption) of fluorescence XAFS
- Deadtime corrections for fluorescence XAFS
- XAFS DATA REDUCTION
- Pre-edge subtraction and normalization
- Background subtraction
- EXAFS Fourier transforms
- XAFS DATA MODELING
- Running and using FEFF for EXAFS calculations
- First-shell fitting
- Fit statistics and estimated uncertainties
- Second-shell fitting
- REFERENCES
- 3. X-ray Absorption Near-Edge Structure (XANES) Spectroscopy
- PREFACE
- INTRODUCTION
- Interaction of X-rays with matter
- Binding energy
- Single electron excitation approximation and selection rules
- Calculations of XANES spectra
- EXPERIMENTAL ASPECTS OF XANES
- Doing a XANES experiment at a beamline
- Data reduction
- XANES DETECTION MODES
- Transmission detection of XANES
- Electron yield detection of XANES
- Fluorescence yield detection of XANES
- Partial Fluorescence Yield detection of XANES
- Electron energy loss spectroscopy and X-ray Raman
- XANES microscopy
- XANES ANALYSIS OF METAL K-EDGES
- Special energy positions of X-ray absorption edges
- The pre-edge region
- The edge region and peaks at higher energies in the XANES region
- XANES analysis of metal L-edges
- Multiplet analysis of L-edges
- QUALITATIVE SPECTRAL ANALYSIS OF THE L-EDGES
- Energy shifts
- Intensities of the L-edges
- The branching ratio
- Polarization dependence and XMCD
- XANES ANALYSIS OF LIGAND K-EDGES
- APPLICATIONS OF XANES IN MINERALOGY AND GEOCHEMISTRY
- Transition metals: K-edges
- Transition metals: L-edges
- Silicon and aluminum K- and L-edges
- Alkalis (Li, Na, K, Rb, Cs)
- Alkaline-Earths (Be, Ca, Mg, Sr, Ba)
- Ligand edges (C, O, B, S, P)
- SOME EXAMPLES OF STUDIES UTILIZING XANES
- Assessing trace element substitution in minerals: Cerium speciation (Ce3+/Ce4+) in Ti-rich minerals
- Assessing changes in oxidation state of Nb and Ta with varying fO2 at 1.5 GPa as a possible explanation for the negative Nb/Ta anomaly or “arc signature” of melts
- In situ high-temperature determination of Cr oxidation state in basaltic melts: A novel XANES furnace design
- The behavior of Br in CO2-bearing fluids in low-temperature geological settings: A Br K-edge study on synthetic fluid inclusions
- ACKNOWLEDGMENTS
- REFERENCES
- 4. Probing of Pressure-Induced Bonding Transitions in Crystalline and Amorphous Earth Materials: Insights from X-ray Raman Scattering at High Pressure
- INTRODUCTION
- BRIEF REMARKS ON THEORETICAL BACKGROUNDS AND XRS EXPERIMENTS AT HIGH PRESSURE
- Brief theoretical backgrounds
- Comparison with other core-electron excitation spectroscopy and traditional experimental probes at high pressure
- XRS experiments
- PRESSURE-INDUCED STRUCTURAL CHANGES IN CRYSTALLINE AND AMORPHOUS EARTH MATERIALS: INSIGHTS FROM X-RAY RAMAN SCATTERING
- Application of K-edge XRS to materials under high pressure
- Insights from quantum chemical calculations
- REMAINING CHALLENGES AND OUTLOOK: APPLICATIONS OF NEW K-, L-, M-EDGE XRS, XRS WITH MOMENTUM TRANSFER, IN SITU HIGHTEMPERATURE AND HIGH-PRESSURE XRS STUDY FOR MULTI-COMPONENTS GLASSES
- Application of L- and M-edge XRS techniques to oxides and silicates under pressure
- Application of XRS technique to multi-component oxide glasses under pressure
- Application of new K-edges (elements in the 3rd row of the periodic table) and momentum transfer XRS to crystals under pressure
- In situ high-temperature and high-pressure XRS studies
- Outlook and prospects
- ACKNOWLEDGMENTS
- REFERENCES
- 5. Luminescence Spectroscopy
- INTRODUCTION
- THE TYPES AND PHYSICAL PROCESSES OF LUMINESCENCE
- Luminescence
- Fluorescence
- Phosphorescence
- Thermoluminescence
- Cathodoluminescence
- X-ray excited optical luminescence
- Activators, sensitizers, and quenchers
- Emission and excitation spectra
- Semiconductor vs. insulator models
- Luminescence in organic molecules and structures
- Total Luminescence Spectra
- SPECIFIC LUMINESCENCE METHODOLOGY AND APPLICATIONS
- Time-gated laser excitation and emission techniques
- EXAMPLES OF APPLICATIONS
- Activator determination
- Site occupancy and partitioning
- Organic-derived luminescence
- Cathodoluminescence techniques
- Scanning cathodoluminescence microscopy
- APPLICATIONS
- Quartz
- Feldspars
- Zircon
- Carbonates
- Apatite
- Thermoluminescence techniques
- Applications
- Developing areas for luminescence applications
- ACKNOWLEDGMENTS
- REFERENCES
- 6. Analytical Transmission Electron Microscopy
- INTRODUCTION
- INTRODUCTION TO ANALYTICAL TRANSMISSION ELECTRON MICROSCOPY (TEM)
- Basic design of transmission electron microscopes (TEM)
- Interactions between the electron beam and the specimen
- The specimen
- Recent developments in analytical TEM
- ELEMENTAL QUANTIFICATION – EDX AND EELS
- EDX
- Example of the practical application of EDX: clay minerals
- EELS
- EEL SPECTROMETRY
- EEL low-loss spectroscopy
- EELS core-loss fine structure
- EDX AND EELS IMAGING
- EXAMPLE OF THE PRACTICAL APPLICATION OF EELS: EELS OF MANGANESE IN MINERALS AND ENVIRONMENTAL HEALTH
- Introduction
- Analytical considerations for EELS determination of manganese valence
- Near edge structure of Mn M2,3-edge
- Near edge structure of Mn L2,3-edge
- Quantification of valence by L2,3-ELNES
- Beam damage
- Applications
- GENERAL APPLICATION OF EELS, SAED AND EDX
- Use of (S)TEM to assess transport and retardation mechanisms of trace metal contaminants
- Developments in TEM specimen preparation
- Developments in analyzing poorly crystalline, beam sensitive materials
- CONCLUSIONS
- REFERENCES
- 7. High Resolution Core- and Valence-Level XPS Studies of the Properties (Structural, Chemical and Bonding) of Silicate Minerals and Glasses
- INTRODUCTION
- XPS studies of silicates
- Technical advances
- Focus of the review
- FUNDAMENTAL PRINCIPLES OF XPS
- Photoionization and analysis depths
- Non-conductors and sample charging
- Photopeak assignments and intensities
- Depth of analysis
- Linewidths
- Si 2p AND O 1s LINEWIDTHS: EXPERIMENT AND THEORY
- Evidence for minimum linewidths for silicates
- Si 2p vibrational contributions
- O 1s vibrational contributions
- Effects of phonon broadening
- Experimental and fitting considerations
- Chemical shifts in silicates
- Surface core-level shifts in silicates
- CORE LEVEL BULK APPLICATIONS
- Crystalline silicates
- Silicate glasses: general aspects
- Silicate glasses: O 1s spectra, and NBO and BO linewidths
- Silicate glasses: uncertainties in BO% from O 1s spectra
- Determination of free oxide O2- and its importance
- CORE LEVEL SURFACE STUDIES OF SILICATES
- Adsorption on silicate and oxide surfaces
- Leaching of silicates
- VALENCE LEVEL BULK APPLICATIONS
- Nature of the contributions to the valence band
- ACKNOWLEDGEMENTS
- REFERENCES
- INTRODUCTION
- 8. Analysis of Mineral Surfaces by Atomic Force Microscopy
- INTRODUCTION
- EXPERIMENTAL METHODS
- AFM set-ups
- Experimental conditions
- DISSOLUTION, PRECIPITATION AND GROWTH
- Determination of reaction rates at crystal surfaces from step velocities
- Size and shape of clay minerals
- Limits of the AFM observation
- AFM rates versus bulk rates
- FORCE MEASUREMENTS
- Hydration forces
- Determination of the point of zero charge (PZC)
- Kelvin Force Probe Microscopy (KPFM)
- ATOMICALLY RESOLVED SURFACE STRUCTURES
- Structures in contact mode
- Surface structures analyzed by AFM in dynamic mode
- CONCLUSIONS
- ACKNOWLEDGMENTS
- REFERENCES
- 9. Optical Spectroscopy
- INTRODUCTION
- GENERAL CONCEPTS
- UNITS
- Wavelength and energy
- Intensities
- THE EXPERIMENT – SAMPLE AND EQUIPMENT CONSIDERATIONS
- Types of spectrometers
- NOMENCLATURE OF THE DIFFERENT SPECTRA
- INTENSITIES AND SELECTION RULES
- The Laporte selection rule
- Spin-forbidden transitions
- QUANTITATIVE CONCENTRATIONS FROM OPTICAL SPECTRA
- IDENTIFICATION OF THE OXIDATION STATES OF CATIONS
- A GALLERY OF SPECTRA OF METAL IONS COMMONLY RESPONSIBLE FOR THE OPTICAL SPECTRA OF MINERALS
- Titanium
- Vanadium
- Chromium
- Manganese
- Iron
- Cobalt
- Nickel
- Copper
- Rare Earth Elements and Uranium
- INTERVALENCE CHARGE TRANSFER
- Intervalence charge transfer in low-symmetry crystals
- BAND GAPS
- RADIATION-INDUCED COLOR CENTERS
- VIBRATIONAL OVERTONES AND COMBINATIONS
- ARTIFACTS
- Interference fringes
- Wood’s grating anomaly
- TEMPERATURE AND PRESSURE DEPENDENCE
- ABSORPTION BAND INTENSIFICATION
- COMPILATIONS OF MINERAL OPTICAL SPECTRAL DATA
- CONCLUDING THOUGHTS
- REFERENCES
- 10. Spectroscopy from Space
- ABSTRACT
- INTRODUCTION
- DETECTION OF MINERALS AND THEIR SPECTRAL PROPERTIES
- MINERAL AND FROZEN VOLATILES SPECTRAL SIGNATURES
- H2O (ice)
- SO2 ice
- Nitrogen ice (N2)
- Hydrocarbons and other ices
- Methane ice (CH4)
- MINERALS AND COMPOUNDS IN THE SOLAR SYSTEM DETECTED WITH SPECTROSCOPY
- Terrestrial planets
- Asteroids and comets
- Jupiter system
- Saturn system
- Uranus system
- The Neptune system and beyond
- SUMMARY
- ACKNOWLEDGMENTS
- REFERENCES
- 11. SR-FTIR Microscopy and FTIR Imaging in the Earth Sciences
- INTRODUCTION
- FTIR MICROSCOPY AND IMAGING TECHNIQUES
- SYNCHROTRON-RADIATION FTIR SPECTROSCOPY IN MINERAL SCIENCES
- Introduction
- Applications in mineral sciences
- FTIR IMAGING
- Introduction
- The distribution of H and C in minerals
- Imaging of inclusions in minerals
- FTIR imaging of dynamic processes
- CONCLUSIONS
- ACKNOWLEDGMENTS
- REFERENCES
- 12. Carryover of Sampling Errors and Other Problems in Far-Infrared to Far-Ultraviolet Spectra to Associated Applications
- INTRODUCTION AND PURPOSE
- EXPERIMENTAL METHODS
- EXTRACTION OF SPECTRAL PROPERTIES FROM LABORATORY MEASUREMENTS
- Ideal interactions of light with perfect, single crystals
- Limitations of real measurements
- Errors originating in instrumentation
- Concerns in obtaining quantitative spectra from powders
- Concerns regarding thin-film spectra obtained in the diamond anvil cell
- Propagation of errors
- Errors arising during data processing and extracting spectral parameters
- Emission spectra
- EXAMPLES OF SAMPLING PROBLEMS IN THE LABORATORY
- Overly large grains in absorbing regions
- Too small of crystals for the near-IR transparent region
- Information on d-d transitions in the UV may pertain to band assignments
- REMOTELY SENSED SPECTRA AND OBSERVATIONAL DATA
- Ascertaining surface mineralogy of large bodies
- Ascertaining the mineralogy of the 10 µm feature in observational data
- DEDUCING DIFFUSIVE RADIATIVE TRANSFER FROM SPECTRA
- CONCLUSIONS
- ACKNOWLEDGMENTS
- REFERENCES
- 13. Advances in Raman Spectroscopy Applied to Earth and Material Sciences
- BRIEF HISTORICAL PERSPECTIVE AND SIMPLE THEORY
- Quantum mechanical theory
- INSTRUMENTATION
- Excitation line
- Notch filters, optical spectrometer or grating
- Optics, monochromators, detectors
- Different manufacturers and instrument types
- Confocal system
- Data acquisition and reduction
- Baseline correction and normalization
- OTHER TYPES OF RAMAN SPECTROSCOPY
- Hyper-Raman scattering (HRS)
- Surface Enhanced Raman Scattering (SERS)
- APPLICATIONS
- Crystalline spectra
- Amorphous materials
- Silicate glasses
- Aluminosilicate glasses
- Borosilicate glasses
- Titanosilicate glasses
- Iron silicate glasses
- Volatiles in glasses
- Fluid inclusions
- In situ Raman spectroscopy
- CONCLUSIONS
- REFERENCES
- BRIEF HISTORICAL PERSPECTIVE AND SIMPLE THEORY
- 14. Brillouin Scattering and its Application in Geosciences
- INTRODUCTION
- HISTORICAL BACKGROUND
- PHYSICAL PRINCIPLES OF THE BRILLOUIN EFFECT
- Brillouin scattering in fluids
- Brillouin scattering in solids
- BRILLOUIN SPECTROSCOPY
- Basic experimental setup
- Light source
- Scattering geometry
- The spectrometer
- Detectors
- Measurements on transparent materials
- Measurements of surface Brillouin scattering on opaque materials and thin films
- Brillouin scattering at ambient or near-ambient conditions
- Determination of Pockel’s coefficients
- Brillouin scattering at extreme conditions
- ANALYSIS OF THE BRILLOUIN SPECTRA AND RECOVERY OF THE ELASTIC TENSOR
- Linear elasticity of anisotropic solids
- Determining the elastic constants
- What is the information from Brillouin scattering that is relevant to Earth science?
- APPLICATIONS OF BRILLOUIN SPECTROSCOPY IN GEOSCIENCES
- Experimental techniques to determine the anisotropic elasticity of Earth materials
- Lithosphere and upper mantle
- Transition zone
- Lower mantle
- FRONTIERS
- Elasticity under deep mantle conditions
- Combining Brillouin scattering with other techniques to characterize elastic anisotropy at high pressures
- Surface Brillouin scattering at extreme conditions
- ACKNOWLEDGMENTS
- REFERENCES
- 15. NMR Spectroscopy of Inorganic Earth Materials
- INTRODUCTION
- THE BASICS
- Nuclear spins, NMR frequencies and signal intensities
- How NMR experiments are done
- Anisotropy, motional averaging, and magic-angle spinning
- CHEMICAL SHIFT VS. STRUCTURE
- QUADRUPOLAR INTERACTIONS AND STRUCTURE
- MAGNETIC DIPOLAR INTERACTIONS AND INDIRECT SPIN-SPIN COUPLINGS
- MORE ADVANCED NMR METHODS
- FIRST-PRINCIPLES CALCULATIONS OF NMR PARAMETERS
- NUCLEAR SPIN RELAXATION
- APPLICATIONS TO CRYSTALLINE SILICATES, OXIDES AND OTHER INORGANIC MATERIALS
- Structural order/disorder in minerals
- 1H NMR in minerals
- NMR crystallography
- APPLICATIONS TO GLASSES, MELTS AND OTHER AMORPHOUS MATERIALS
- Volatile-free silicate glasses
- Volatile-containing glasses
- Other amorphous materials
- Silicate and oxide melts
- DYNAMICS, KINETICS AND TRANSITIONS
- Phase transitions
- Interactions of water with minerals and glasses
- Aqueous solutions: ambient to elevated pressures
- MINERALS CONTAINING ABUNDANT UNPAIRED ELECTRON SPINS
- ACKNOWLEDGMENTS
- REFERENCES
- 16. Electron Paramagnetic Resonance Spectroscopy: Basic Principles, Experimental Techniques and Applications to Earth and Planetary Sciences
- INTRODUCTION
- BASIC PRINCIPLES AND SPIN HAMILTONIAN
- Electron resonance condition and EPR spectra
- Spin Hamiltonian
- GUIDES TO EPR EXPERIMENTS AND SPECTRAL ANALYSES
- Samples and techniques for generating paramagnetic species
- Continuous-wave (CW) EPR
- Pulse ESEEM and ENDOR
- Ab initio calculations of EPR parameters
- APPLICATIONS TO EARTH AND PLANETARY SCIENCES
- EPR as a structural probe of point defects in minerals
- In situ high-temperature and high-pressure EPR experiments
- Optically detected magnetic resonance (ODMR) and mineral coloration
- EPR as structural probe for other Earth and planetary materials
- Quantitative EPR analysis
- ACKNOWLEDGMENTS
- REFERENCES
- 17. Theoretical Approaches to Structure and Spectroscopy of Earth Materials
- INTRODUCTION
- THEORETICAL FRAMEWORK
- Quantum-chemical methods
- Density Functional Theory (DFT)
- Excitation methods
- Classical force field methods
- Molecular dynamics
- STRUCTURE DETERMINATION AND OPTIMIZATION
- VIBRATIONAL SPECTRA
- Lattice dynamics in the harmonic approximation
- Atomic dynamics via time correlation functions
- Infrared absorption spectroscopy
- Raman spectra
- ELECTRONIC EXCITATION SPECTRA
- UV-vis
- XAFS and XRS
- EELS and ELNES
- XPS
- SPECTROSCOPY RELATED TO NUCLEAR EXCITATIONS
- NMR
- Mössbauer spectroscopy
- CONCLUDING REMARKS
- ACKNOWLEDGMENTS
- REFERENCES
- 18. High-pressure Apparatus Integrated with Synchrotron Radiation
- INTRODUCTION
- SYNCHROTRON TECHNIQUES APPLICABLE TO HIGH-PRESSURE RESEARCH
- Synchrotron radiation
- High-pressure synchrotron techniques
- HIGH PRESSURE TECHNIQUES INTEGRATED WITH SYNCHROTRON RADIATION
- The large volume press (LVP)
- Diamond anvil cell techniques
- Dynamic shockwave techniques
- A BRIEF OUTLOOK
- Expanding P-T range
- New HP synchrotron techniques
- ACKNOWLEDGMENTS
- REFERENCES
- 19. In situ High-Temperature Experiments
- PREFACE
- INTRODUCTION
- LEVITATION TECHNIQUES
- Introduction
- Acoustic levitation
- Electromagnetic levitation
- Electrostatic levitation
- Aerodynamics levitation
- Experimental techniques
- APPLICATIONS OF AERODYNAMICS LEVITATION
- NMR experiments
- X-ray absorption spectroscopy (XAS)
- SAXS and SANS
- X-ray and neutron diffraction
- WIRE OR PLATE HEATING SYSTEM
- Description, temperature and atmosphere control
- Raman spectroscopy
- X-ray diffraction
- X-ray absorption
- ADVANTAGES, DIFFERENCES AND CONCLUSIONS
- ACKNOWLEDGMENTS
- REFERENCES
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