Refine
Has Fulltext
- no (141)
Year of publication
Document Type
- Article (139)
- Monograph/Edited Volume (2)
Is part of the Bibliography
- yes (141)
Keywords
- Detector modelling and simulations II (electric fields, charge transport, multiplication and induction, pulse formation, electron emission, etc) (1)
- Energy-dispersive Laue diffraction (1)
- Interaction of radiation with matter (1)
- Solid state detectors (1)
- X-ray imaging (1)
- X-ray spectroscopy (1)
- pnCCD (1)
Institute
- Institut für Physik und Astronomie (141) (remove)
X-ray diffraction by a crystal in a permanent external electric field : general considerations
(2005)
The variations of X-ray diffraction intensities from a crystal in the presence of a permanent external electric field is modeled analytically using a first-order stationary perturbation theory. The change in a crystal, induced by an external electric field, is separated into two contributions. The first one is related to a pure polarization of an electron subsystem, while the second contribution can be reduced to the displacements of the rigid pseudoatoms from their equilibrium positions. It is shown that a change of the X-ray diffraction intensities mainly originates from the second contribution, while the influence of the pure polarization of a crystal electron subsystem is negligibly small. The quantities restored from an X-ray diffraction experiment in the presence of an external electric field were analyzed in detail in terms of a rigid pseudoatomic model of electron density and harmonic approximation for the atomic thermal motion. Explicit relationships are derived that link the properties of phonon spectra with E-field-induced variations of a structure factor, pseudoatomic displacements and piezoelectric strains. The displacements can be numerically estimated using a model of independent atomic motion if the Debye - Waller factors and pseudoatomic charges are known either from a previous single-crystal X-ray diffraction study or from density functional theory calculations. The above estimations can be used to develop an optimum strategy for a data collection that avoids the measurements of reflections insensitive to the electric-field-induced variations