Site Symmetrized Fourier Invariant Treatment of Anharmonic Temperature Factors

@inproceedings{Kurkisuonio1979SiteSF,
  title={Site Symmetrized Fourier Invariant Treatment of Anharmonic Temperature Factors},
  author={K. Kurki-suonio and M. Yu. Merisalo and Hannu Peltonen},
  year={1979}
}
Site symmetrized expressions of the atomic temperature factor for all crystallographic point groups have been derived within the framework of the effective one-particle potential formalism. The formulation makes use of the harmonic oscillator eigenfunctions leading to Fourier invariant expressions for the probability density function. The present formalism lends itself for a straightforward application to any crystal structure. The treatment is applied to the analysis of recent neutron… CONTINUE READING

Citations

Publications citing this paper.