Dynamic deformation effects on the Debye–Waller factor

Reid, J.

doi:10.1107/s0567739479001054

Cited by 3 publications

(1 citation statement)

References 3 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A preceding paper, Reid (1979) hereinafter referred to as (I), showed how the Debye-Waller factors were affected in the general formalism and considered the particular case of shell-model deformations in the alkali halides. Before discussing the extensions of this approach to silicon and related elements we begin by introducing different dynamical models and calculating the Debye-Waller factors given by these various models.…”

Section: Introductionmentioning

confidence: 99%

Dynamic deformation and the Debye–Waller factors for silicon-like crystals

Reid¹,

Pirie²

1980

Acta Cryst Sect A

Self Cite

View full text Add to dashboard Cite

MITSUKO ONODA, MASANOBU SAEKI AND ISAO KAWADA 957 easier than that of the fully occupied Ti layer. It is probable that the stacking faults which occur at a low temperature such as 683 K are due only to the slide between the sandwiches, and the experimental data shown in Fig. 1 should be interpreted appropriately on the basis of the extended model.Experimental patterns which suggest the occurrence of stacking faults are often observed for the various temperatures and compositions in the Ti-S system. The method of analysis of the structure with stacking faults described above may be effectively used for considering the phase-relation problem in this system. The effect of dynamic deformation on the Debye-Waller factor of silicon and, to a slightly lesser extent, the other three elements, is investigated. The Debye-Waller factor for the shells only in the the shell models is calculated. The effect introduced by dynamic deformation whereby the Debye-Waller B value varies with scattering vector K is evaluated. Finally, the anisotropic Debye-Waller factor components for the bond charges are calculated for all four elements. It is found that the bond charges in the bond-charge model and the shells in the shell model vibrate substantially less than the main atomic cores. It is concluded that if the models are at all realistic then the effects of dynamic deformation on the Debye-Waller factors of these elements should be seriously considered.

show abstract

Section: Introductionmentioning

confidence: 99%

Dynamic deformation and the Debye–Waller factors for silicon-like crystals

Reid¹,

Pirie²

1980

Acta Cryst Sect A

Self Cite

View full text Add to dashboard Cite

show abstract

Curved-wave corrections to the electron scattering Debye-Waller factor

Rennert¹

1992

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

The influence of atomic movement on the electron scattering is calculated in a cumedwave theoly. The coniribution in the angular momentum represenlation of the Green function can be split off into the D e b p W U e r faaor lor me plane-wave scattering and a cum&-wave correction. The additional term can be used to correct the expressions for the fine s t m t u r e in the x-ray absorption spectra or for the angle resolved photoelectron diUraction r e ~u l u are applicable lo all approximative expressions for these properties. As a main m u l l due to the thermal movement of the atoms the elements of the t-matrix, tt, have to be replaced by tTD = tt + li2.&& where t is a modified t-mairk. t and f have a d m e n t kdependence. The consequence is a shift in the peaks of the absolute value of the Fourier-transformed SpcclNm. For nickel we get a shift up to 0.1 au in the single scattering expression for the Brst nearet neighbour.

show abstract