For an atom in a solid, the total atomic scattering amplitude can be
subdivided into smooth and oscillating fine structure components,
The smooth component is given by , and its
smooth anomalous term,
, is usually calculated using the
Cromer and Liberman method [18]. The correct values of
, however, are given by embedded atom anomalous
amplitudes [19]. For the systems discussed in this
chapter, the embedded atom corrections were small, and consequently
Cromer-Liberman values were used. When there are neighboring atoms, the
oscillating component,
, with the DAFS
complex-valued
, contains the
spectroscopic and structural information. This separation of f into
smooth and oscillatory DAFS components is analogous to the usual XAFS
separation of
into smooth
and oscillatory
terms:
.