R. Hoier et al., Three-phase structure invariants and structure factors determined with thequantitative convergent-beam electron diffraction method, ACT CRYST A, 55(1), 1999, pp. 188-196
Quantitative convergent-beam electron diffraction is used to determine stru
cture factors and three-phase structure invariants. The refinements are bas
ed on centre-disc intensities only. An algorithm for parameter-sensitive pi
xel sampling of experimental intensities is implemented in the refinement p
rocedure to increase sensitivity and computer speed. Typical three-beam eff
ects are illustrated for the centrosymmetric case. The modified refinement
method is applied to determine amplitudes and three-phase structure invaria
nts in noncentrosymmetric InP. The accuracy of the results is shown to depe
nd on the choice of the initial parameters in the refinement. Even unrealis
tic starting assumptions and incorrect temperature factor lead to stable re
sults for the structure invariant. The examples show that the accuracy vari
es from 1 to 10 degrees in the electron three-phase invariants determined a
nd from 0.5 to 5% for the amplitudes. Individual phases could not be determ
ined in the present case owing to spatial intensity correlations between ph
ase-sensitive pixels. However, for the three-phase structure invariant, sta
ble solutions were found.