Development of an innovative diffraction scattering theory of X-rays and electrons in imperfect crystals

The Liouville–Neumann-type series formalism is applied to solve the X-ray and electron boundary-value Cauchy problems formulated in the form of the matrix Volterra integral equation of the second kind. Using the two-stage resolvent solution of the second order, this approach is supported by straightforward calculation of the electron bright- and dark-field contrasts of the edge dislocation in a thick foil.

Universal simulation of absorption effects for X-ray diffraction in reflection geometry

A ray-tracing algorithm for the simulation of absorption effects for arbitrary rasterized samples is presented. The algorithm is used to analyze how the absorption correction is influenced by the lateral and vertical dimensions of the material distribution in a sample surface.

A new order parameter model for the improper ferroelastic phase transitions in KMnF₃ single crystal

This paper proposes a new order parameter model which satisfactorily explains complicated symmetry changes, the temperature–pressure (T–P) phase diagram and elastic anomalies observed experimentally with the improper ferroelastic phase transitions in multiferroic KMnF₃ single crystal.

Ideas of lattice-basis reduction theory for error-stable Bravais lattice determination and ab initio indexing

Error-stable Bravais lattice determination algorithms for 2D and 3D lattices are presented.

The description of octahedral crystals using five parameters

A method for the unambiguous description of the real octahedral crystal form using its five linear parameters is proposed. It can be considered as an alternative to other geometrical approaches to describe the shape of crystals.

Space Group Representations. Theory, Tables and Applications