Structure of the Special Intercrystalline Boundaries in Two Component Crystals

• Main Authors: Boris M. Darinskiy, Natalia D. Efanova, Andrey S. Prizhimov
• Format: Article
• Language: English
• Published: Voronezh State University 2019-12-01
• Series: Конденсированные среды и межфазные границы
• Subjects: coincidence site lattice; interfaces; crystal; special boundaries
• Online Access: https://journals.vsu.ru/kcmf/article/view/2361

Object. The object of the study was the intercrystalline boundaries with a periodic atomic structure in two-component cubic crystals. Special boundaries are characterized by increased thermodynamic stability due to the relatively low energy of formation and specifi c electrical characteristics, such as Schottky barriers. Therefore, they are of great interest to researchers and developers of materials and devices. This study was carried out in the grain boundary engineering direction based on ion crystals. Aim of the study. The goal of the study was the atomic structure of these boundaries, classifi cation of intercrystalline boundaries based on their elemental composition, and the evaluation of intercrystalline boundaries as sources of electric fi elds in the crystal volume. Methods and methodology. As a method of research, the ideas of crystallographic symmetry of lattices having a simple, face-centred, and bulk-centred geometric structure were used. Results. A new method was developed for the appliance of lattice sites to certain elements of chemical composition using a specially constructed crystallographic group called the group of displacements. Specifi c groups of displacements for crystals of BCC, FCC, and simple cubic structure with two-component chemical composition were constructed. Based on this, the conditions determining the families of planes with the same elemental compositions and the relative arrangement of elements in the intercrystalline contact were formulated. Families of neutral atomic planes and families containing excess positive and negative charges were specifi ed. Conclusion. The technique of determining the sequence of alternation of these planes in the intercrystalline boundary region was described. NaCl, CsCl, and other crystals are considered as examples. For each crystal family, the orientations of the charged and neutral planes were indicated.