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structure factor : ウィキペディア英語版
structure factor
In condensed matter physics and crystallography, the static structure factor (or structure factor for short) is a mathematical description of how a material scatters incident radiation. The structure factor is a particularly useful tool in the interpretation of interference patterns obtained in X-ray, electron and neutron diffraction experiments.
The static structure factor is measured without resolving the energy of scattered photons/electrons/neutrons. Energy-resolved measurements yield the dynamic structure factor.
==Derivation==
Let us consider a scalar (real) quantity \phi(\mathbf) defined in a volume V; it may correspond, for instance, to a mass or charge distribution or to the refractive index of an inhomogeneous medium. If the scalar function is assumed to be integrable, we can define its Fourier transform \textstyle \phi(\mathbf) = \int_ \phi(\mathbf) \exp (-i \mathbf \mathbf) \, \mathrm \mathbf. Expressing the field \phi in terms of the spatial frequency \mathbf instead of the point position \mathbf is very useful, for instance, when interpreting scattering experiments. Indeed, in the Born approximation (weak interaction between the field and the medium), the amplitude of the signal corresponding to the scattering vector \mathbf is proportional to \textstyle \phi(\mathbf). Very often, only the intensity of the scattered signal \textstyle I(\mathbf) is detectable, so that \textstyle I(\mathbf) \sim \left | \phi(\mathbf) \right |^2.
If the system under study is composed of a number N of identical constituents (atoms, molecules, colloidal particles, etc.) it is very convenient to explicitly capture the variation in \phi due to the morphology of the individual particles using an auxiliary function f(\mathbf), such that:
with \textstyle \mathbf_, j = 1, \, \ldots, \, N the particle positions. In the second equality, the field is decomposed as the convolution product \ast of the function f, describing the "form" of the particles, with a sum of Dirac delta functions depending only on their positions. Using the property that the Fourier transform of a convolution product is simply the product of the Fourier transforms of the two factors, we have \textstyle \phi(\mathbf) = f(\mathbf) \sum_^ \exp (-i \mathbf \mathbf_), such that:
\right ) \times \left ( \sum_^ \mathrm^_} \right )= \left | f(\mathbf) \right |^2 \sum_ \mathrm^_j - \mathbf_k)}.|}}
In general, the particle positions are not fixed and the measurement takes place over a finite exposure time and with a macroscopic sample (much larger than the interparticle distance). The experimentally accessible intensity is thus an averaged one \textstyle \langle I(\mathbf) \rangle; we need not specify whether \langle \cdot \rangle denotes a time or ensemble average. We can finally write:
thus defining the structure factor

抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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