XAFS
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XAFS
X-ray absorption fine structure (XAFS) is a specific structure observed in X-ray absorption spectroscopy (XAS). By analyzing the XAFS, information can be acquired on the local structure and on the unoccupied local electronic states. Atomic spectra The atomic X-ray absorption spectrum (XAS) of a core-level in an absorbing atom is separated into states in the discrete part of the spectrum called "bounds final states" or "Rydberg states" below the ionization potential (IP) and "states in the continuum" part of the spectrum above the ionization potential due to excitations of the photoelectron in the vacuum. Above the IP the absorption cross section attenuates gradually with the X-ray energy. Following early experimental and theoretical works in the thirties, in the sixties using synchrotron radiation at the National Bureau of Standards it was established that the broad asymmetric absorption peaks are due to Fano resonances above the atomic ionization potential where the final stat ...
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NEXAFS
X-ray absorption near edge structure (XANES), also known as near edge X-ray absorption fine structure (NEXAFS), is a type of absorption spectroscopy that indicates the features in the X-ray absorption spectra (XAS) of condensed matter due to the photoabsorption cross section for electronic transitions from an atomic core level to final states in the energy region of 50–100 eV above the selected atomic core level ionization energy, where the wavelength of the photoelectron is larger than the interatomic distance between the absorbing atom and its first neighbour atoms. Terminology Both XANES and NEXAFS are acceptable terms for the same technique. XANES name was invented in 1980 by Antonio Bianconi to indicate strong absorption peaks in X-ray absorption spectra in condensed matter due to multiple scattering resonances above the ionization energy. The name NEXAFS was introduced in 1983 by Jo Stohr and is synonymous with XANES, but is generally used when applied to surface and molecu ...
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XANES
X-ray absorption near edge structure (XANES), also known as near edge X-ray absorption fine structure (NEXAFS), is a type of absorption spectroscopy that indicates the features in the X-ray absorption spectra (XAS) of condensed matter due to the photoabsorption cross section for electronic transitions from an atomic core level to final states in the energy region of 50–100 eV above the selected atomic core level ionization energy, where the wavelength of the photoelectron is larger than the interatomic distance between the absorbing atom and its first neighbour atoms. Terminology Both XANES and NEXAFS are acceptable terms for the same technique. XANES name was invented in 1980 by Antonio Bianconi to indicate strong absorption peaks in X-ray absorption spectra in condensed matter due to multiple scattering resonances above the ionization energy. The name NEXAFS was introduced in 1983 by Jo Stohr and is synonymous with XANES, but is generally used when applied to surface and molecu ...
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EXAFS
Extended X-ray absorption fine structure (EXAFS), along with X-ray absorption near edge structure (XANES), is a subset of X-ray absorption spectroscopy (XAS). Like other absorption spectroscopies, XAS techniques follow Beer's law. The X-ray absorption coefficient of a material as a function of energy is obtained using X-rays of a narrow energy resolution are directed at a sample and the incident and transmitted x-ray intensity is recorded as the incident x-ray energy is incremented. When the incident x-ray energy matches the binding energy of an electron of an atom within the sample, the number of x-rays absorbed by the sample increases dramatically, causing a drop in the transmitted x-ray intensity. This results in an absorption edge. Every element has a set of unique absorption edges corresponding to different binding energies of its electrons, giving XAS element selectivity. XAS spectra are most often collected at synchrotrons because of the high intensity of synchrotron X- ...
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SEXAFS
Surface-extended X-ray absorption fine structure (SEXAFS) is the surface-sensitive equivalent of the EXAFS technique. This technique involves the illumination of the sample by high-intensity X-ray beams from a synchrotron and monitoring their photoabsorption by detecting in the intensity of Auger electrons as a function of the incident photon energy. Surface sensitivity is achieved by the interpretation of data depending on the intensity of the Auger electrons (which have an escape depth of ~1–2  nm) instead of looking at the relative absorption of the X-rays as in the parent method, EXAFS. The photon energies are tuned through the characteristic energy for the onset of core level excitation for surface atoms. The core holes thus created can then be filled by nonradiative decay of a higher-lying electron and communication of energy to yet another electron, which can then escape from the surface (Auger emission). The photoabsorption can therefore be monitored by direct dete ...
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X-ray Absorption Spectroscopy
X-ray absorption spectroscopy (XAS) is a widely used technique for determining the local geometric and/or electronic structure of matter. The experiment is usually performed at synchrotron radiation facilities, which provide intense and tunable X-ray beams. Samples can be in the gas phase, solutions, or solids. Background XAS data is obtained by tuning the photon energy, using a crystalline monochromator, to a range where core electrons can be excited (0.1-100 keV). The edges are, in part, named by which core electron is excited: the principal quantum numbers n = 1, 2, and 3, correspond to the K-, L-, and M-edges, respectively. For instance, excitation of a 1s electron occurs at the K-edge, while excitation of a 2s or 2p electron occurs at an L-edge (Figure 1). There are three main regions found on a spectrum generated by XAS data which are then thought of as separate spectroscopic techniques (Figure 2): # The ''absorption threshold'' determined by the transition to the lowest ...
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Ralph Kronig
Ralph Kronig (10 March 1904 – 16 November 1995) was a German physicist. He is noted for the discovery of particle spin and for his theory of X-ray absorption spectroscopy. His theories include the Kronig–Penney model, the Coster–Kronig transition and the Kramers–Kronig relations. Background Ralph Kronig (later Ralph de Laer Kronig) was born on 10 March 1904 to German parents (Harold Theodor Kronig, Augusta de Laer) in Dresden, Germany. He died in Zeist on 16 November 1995 at the age of 91. Kronig received his primary and high-school education in Dresden and went to New York City to study at Columbia University where he received his PhD in 1925 and subsequently became instructor (1925) and assistant professor (1927). Early in Kronig's career he had encountered Paul Ehrenfest who, while visiting America in 1924, had advised the young physicist Ralph Kronig to revisit Europe. Kronig left for that continent later in 1924 and paid visits to the important centers for theoreti ...
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Rydberg State
The Rydberg states of an atom or molecule are electronically excited states with energies that follow the Rydberg formula as they converge on an ionic state with an ionization energy. Although the Rydberg formula was developed to describe atomic energy levels, it has been used to describe many other systems that have electronic structure roughly similar to atomic hydrogen. In general, at sufficiently high principal quantum numbers, an excited electron-ionic core system will have the general character of a hydrogenic system and the energy levels will follow the Rydberg formula. Rydberg states have energies converging on the energy of the ion. The ionization energy threshold is the energy required to completely liberate an electron from the ionic core of an atom or molecule. In practice, a Rydberg wave packet is created by a laser pulse on a hydrogenic atom and thus populates a superposition of Rydberg states. Modern investigations using pump-probe experiments show molecular pathways ...
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Atomic Orbital
In atomic theory and quantum mechanics, an atomic orbital is a function describing the location and wave-like behavior of an electron in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term ''atomic orbital'' may also refer to the physical region or space where the electron can be calculated to be present, as predicted by the particular mathematical form of the orbital. Each orbital in an atom is characterized by a set of values of the three quantum numbers , , and , which respectively correspond to the electron's energy, angular momentum, and an angular momentum vector component (magnetic quantum number). Alternative to the magnetic quantum number, the orbitals are often labeled by the associated harmonic polynomials (e.g., ''xy'', ). Each such orbital can be occupied by a maximum of two electrons, each with its own projection of spin m_s. The simple names s orbital, p orb ...
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Photoelectron
The photoelectric effect is the emission of electrons when electromagnetic radiation, such as light, hits a material. Electrons emitted in this manner are called photoelectrons. The phenomenon is studied in condensed matter physics, and solid state and quantum chemistry to draw inferences about the properties of atoms, molecules and solids. The effect has found use in electronic devices specialized for light detection and precisely timed electron emission. The experimental results disagree with classical electromagnetism, which predicts that continuous light waves transfer energy to electrons, which would then be emitted when they accumulate enough energy. An alteration in the intensity of light would theoretically change the kinetic energy of the emitted electrons, with sufficiently dim light resulting in a delayed emission. The experimental results instead show that electrons are dislodged only when the light exceeds a certain frequency—regardless of the light's intensity or d ...
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Electron Volt
In physics, an electronvolt (symbol eV, also written electron-volt and electron volt) is the measure of an amount of kinetic energy gained by a single electron accelerating from rest through an electric potential difference of one volt in vacuum. When used as a unit of energy, the numerical value of 1 eV in joules (symbol J) is equivalent to the numerical value of the charge of an electron in coulombs (symbol C). Under the 2019 redefinition of the SI base units, this sets 1 eV equal to the exact value Historically, the electronvolt was devised as a standard unit of measure through its usefulness in electrostatic particle accelerator sciences, because a particle with electric charge ''q'' gains an energy after passing through a voltage of ''V.'' Since ''q'' must be an integer multiple of the elementary charge ''e'' for any isolated particle, the gained energy in units of electronvolts conveniently equals that integer times the voltage. It is a common unit of energy within p ...
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Scattering
Scattering is a term used in physics to describe a wide range of physical processes where moving particles or radiation of some form, such as light or sound, are forced to deviate from a straight trajectory by localized non-uniformities (including particles and radiation) in the medium through which they pass. In conventional use, this also includes deviation of reflected radiation from the angle predicted by the law of reflection. Reflections of radiation that undergo scattering are often called ''diffuse reflections'' and unscattered reflections are called ''specular'' (mirror-like) reflections. Originally, the term was confined to light scattering (going back at least as far as Isaac Newton in the 17th century). As more "ray"-like phenomena were discovered, the idea of scattering was extended to them, so that William Herschel could refer to the scattering of "heat rays" (not then recognized as electromagnetic in nature) in 1800. John Tyndall, a pioneer in light scattering researc ...
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