Dynamic structure factor explained

In condensed matter physics, the dynamic structure factor (or dynamical structure factor) is a mathematical function that contains information about inter-particle correlations and their time evolution. It is a generalization of the structure factor that considers correlations in both space and time. Experimentally, it can be accessed most directly by inelastic neutron scattering or X-ray Raman scattering.

The dynamic structure factor is most often denoted

S(\vec{k},\omega)

, where

\vec{k}

(sometimes

\vec{q}

) is a wave vector (or wave number for isotropic materials), and

\omega

a frequency (sometimes stated as energy,

\hbar\omega

). It is defined as:[1]

S(\vec{k},\omega)\equiv

1
2\pi
infty
\int
-infty

F(\vec{k},t)\exp(i\omegat)dt

Here

F(\vec{k},t)

, is called the intermediate scattering function and can be measured by neutron spin echo spectroscopy. The intermediate scattering function is the spatial Fourier transform of the van Hove function

G(\vec{r},t)

:[2] [3]

F(\vec{k},t)\equiv\intG(\vec{r},t)\exp(-i\vec{k}\vec{r})d\vec{r}

Thus we see that the dynamical structure factor is the spatial and temporal Fourier transform of van Hove's time-dependent pair correlation function. It can be shown (see below), that the intermediate scattering function is the correlation function of the Fourier components of the density

\rho

:

F(\vec{k},t)=

1
N

\langle\rho\vec{k

}(t)\rho_(0) \rangle

The dynamic structure is exactly what is probed in coherent inelastic neutron scattering. The differential cross section is :

d2\sigma
d\Omegad\omega

=

2\left(Ef
Ei
a

\right)1/2S(\vec{k},\omega)

where

a

is the scattering length.

The van Hove function

The van Hove function for a spatially uniform system containing

N

point particles is defined as:[1]

G(\vec{r},t)=\left\langle

1
N

\int

N
\sum
i=1
N
\sum
j=1

\delta[\vec{r}'+\vec{r}-\vec{r}j(t)]\delta[\vec{r}'-\vec{r}i(0)]d\vec{r}'\right\rangle

It can be rewritten as:

G(\vec{r},t)=\left\langle

1
N

\int\rho(\vec{r}'+\vec{r},t)\rho(\vec{r}',0)d\vec{r}'\right\rangle

Further reading

Notes and References

  1. Book: J. P. . Hansen . I. R. . McDonald . Theory of Simple Liquids . . 1986 .
  2. van Hove . L. . Correlations in Space and Time and Born Approximation Scattering in Systems of Interacting Particles . 95 . 1 . 249 . . 1954 . 10.1103/PhysRev.95.249. 1954PhRv...95..249V .
  3. Vineyard. George H.. Scattering of Slow Neutrons by a Liquid. Physical Review. 110. 5. 1958. 999–1010. 0031-899X. 10.1103/PhysRev.110.999. 1958PhRv..110..999V .