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FEFF8
FEFF is a software program used in x-ray absorption spectroscopy. It contains self-consistent space, real space multiple-scattering code for simultaneous calculations of x-ray-Absorption spectrum, absorption spectra and electronic structure. Output includes extended x-ray-absorption fine structure (EXAFS), full multiple scattering calculations of various x-ray absorption spectra (X-ray absorption spectroscopy, XAS) and projected local densities of states (Local density of states, LDOS). The spectra include x-ray absorption near edge structure (XANES), x-ray natural circular dichroism (XNCD), and non-resonant x-ray emission spectra. Calculations of the x-ray scattering amplitude (Thomson scattering, Thomson and anomalous parts) and spin dependent calculations of x-ray magnetic circular dichroism (XMCD) and Spin polarization, spin polarized x-ray absorption spectra (SPXAS and SPEXAFS) are also possible, but less automated. The most recent version of FEFF is FEFF10, released in 2020. U ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
FitIt
FitIt is graphical software to fit X-ray absorption near edge structure (XANES). It can be used to determine the values of local atomic structure parameters on the basis of minimization between theoretical and experimental spectra. It is the program for the fitting and therefore it always uses external programs, for example FEFF8 or FDMNES, for fixed geometry calculations of XANES. In order to minimize the number of such calculations, which can be very time-consuming, multidimensional interpolation algorithm is implemented into the FitIt. Such approach has allowed also to develop visual control of the fitting procedure and it is possible to vary structural parameters by sliders and immediately see the theoretical spectrum corresponding to these structural parameters.C. Battocchio, F. D’Acapito, G. Smolentsev, A.V. Soldatov, I. Fratoddi, G. Contini, I. Davoli, G. Polzonetti and S. Mobilio, ''XAS study of a Pt-containing rod-like organometallic polymer''Chem. Phys. 325, 422 (2006)/ref ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Space
Space is the boundless three-dimensional extent in which objects and events have relative position and direction. In classical physics, physical space is often conceived in three linear dimensions, although modern physicists usually consider it, with time, to be part of a boundless four-dimensional continuum known as spacetime. The concept of space is considered to be of fundamental importance to an understanding of the physical universe. However, disagreement continues between philosophers over whether it is itself an entity, a relationship between entities, or part of a conceptual framework. Debates concerning the nature, essence and the mode of existence of space date back to antiquity; namely, to treatises like the ''Timaeus'' of Plato, or Socrates in his reflections on what the Greeks called ''khôra'' (i.e. "space"), or in the ''Physics'' of Aristotle (Book IV, Delta) in the definition of ''topos'' (i.e. place), or in the later "geometrical conception of place" as "spac ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
X-ray
An X-ray, or, much less commonly, X-radiation, is a penetrating form of high-energy electromagnetic radiation. Most X-rays have a wavelength ranging from 10 picometers to 10 nanometers, corresponding to frequencies in the range 30 petahertz to 30 exahertz ( to ) and energies in the range 145 eV to 124 keV. X-ray wavelengths are shorter than those of UV rays and typically longer than those of gamma rays. In many languages, X-radiation is referred to as Röntgen radiation, after the German scientist Wilhelm Conrad Röntgen, who discovered it on November 8, 1895. He named it ''X-radiation'' to signify an unknown type of radiation.Novelline, Robert (1997). ''Squire's Fundamentals of Radiology''. Harvard University Press. 5th edition. . Spellings of ''X-ray(s)'' in English include the variants ''x-ray(s)'', ''xray(s)'', and ''X ray(s)''. The most familiar use of X-rays is checking for fractures (broken bones), but X-rays are also used in other ways. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Absorption Spectrum
Absorption spectroscopy refers to spectroscopic techniques that measure the absorption of radiation, as a function of frequency or wavelength, due to its interaction with a sample. The sample absorbs energy, i.e., photons, from the radiating field. The intensity of the absorption varies as a function of frequency, and this variation is the absorption spectrum. Absorption spectroscopy is performed across the electromagnetic spectrum. Absorption spectroscopy is employed as an analytical chemistry tool to determine the presence of a particular substance in a sample and, in many cases, to quantify the amount of the substance present. Infrared and ultraviolet–visible spectroscopy are particularly common in analytical applications. Absorption spectroscopy is also employed in studies of molecular and atomic physics, astronomical spectroscopy and remote sensing. There is a wide range of experimental approaches for measuring absorption spectra. The most common arrangement is to dire ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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- ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Local Density Of States
In solid state physics and condensed matter physics, the density of states (DOS) of a system describes the number of modes per unit frequency range. The density of states is defined as D(E) = N(E)/V , where N(E)\delta E is the number of states in the system of volume V whose energies lie in the range from E to E+\delta E. It is mathematically represented as a distribution by a probability density function, and it is generally an average over the space and time domains of the various states occupied by the system. The density of states is directly related to the dispersion relations of the properties of the system. High DOS at a specific energy level means that many states are available for occupation. Generally, the density of states of matter is continuous. In isolated systems however, such as atoms or molecules in the gas phase, the density distribution is discrete, like a spectral density. Local variations, most often due to distortions of the original system, are often referr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Scattering Amplitude
In quantum physics, the scattering amplitude is the probability amplitude of the outgoing spherical wave relative to the incoming plane wave in a stationary-state scattering process. By Nouredine Zettili, 2nd edition, page 623. Paperback 688 pages January 2009 The plane wave is described by the : where is the position vector; ; is the incoming plane wave with the |
Thomson Scattering
Thomson scattering is the elastic scattering of electromagnetic radiation by a free charged particle, as described by classical electromagnetism. It is the low-energy limit of Compton scattering: the particle's kinetic energy and photon frequency do not change as a result of the scattering. This limit is valid as long as the photon energy is much smaller than the mass energy of the particle: \nu\ll mc^2/h , or equivalently, if the wavelength of the light is much greater than the Compton wavelength of the particle (e.g., for electrons, longer wavelengths than hard x-rays). Description of the phenomenon In the low-energy limit, the electric field of the incident wave (photon) accelerates the charged particle, causing it, in turn, to emit radiation at the same frequency as the incident wave, and thus the wave is scattered. Thomson scattering is an important phenomenon in plasma physics and was first explained by the physicist J. J. Thomson. As long as the motion of the particle is no ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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