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The mean-square relative displacements (MSRD) of atomic pair motions incrystals are studied as a function of pair distance and temperature using theatomic pair distribution function (PDF). The effects of the lattice vibrationson the PDF peak widths are modelled using both a multi-parameter Bornvon-Karman (BvK) force model and a single-parameter Debye model. These resultsare compared to experimentally determined PDFs. We find that the near-neighboratomic motions are strongly correlated, and that the extent of this correlationdepends both on the interatomic interactions and crystal structure. Theseresults suggest that proper account of the lattice vibrational effects on thePDF peak width is important in extracting information on static disorder in adisordered system such as an alloy. Good agreement is obtained between the BvKmodel calculations of PDF peak widths and the experimentally determined peakwidths. The Debye model successfully explains the average, though not detailed,natures of the MSRD of atomic pair motion with just one parameter. Also thetemperature dependence of the Debye model largely agrees with the BvK modelpredictions. Therefore, the Debye model provides a simple description of theeffects of lattice vibrations on the PDF peak widths.Comment: 9 pages, 11 figure

Lattice dynamics and correlated atomic motion from the atomic pair distribution function