Abstract
The contribution of anharmonic atomic vibrations to the EXAFS-spectrum is described by the third cumulantσ(3) which contributes with a term proportional tok 3 to the phase in the single scattering plane wave approximation. Due to the lattice expansion and enhancedσ(2) in the surface region we get additional temperature dependent contributions, which are evaluated in a curved wave theory. Transforming this expression into the basic formula we get an additional term proportional tok 3 in the phase of the generalized scattering amplitude. This valueΔα(3) has to be subtracted to get a value forσ(3). Numerical results at the O-K-edge of NiO give a value forΔσ(3) of about 10−4 Å3.
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Speder, O., Rennert, P. Debye-waller factor for electron scattering by surface atoms. Czech J Phys 43, 1015–1018 (1993). https://doi.org/10.1007/BF01595295
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DOI: https://doi.org/10.1007/BF01595295