First-principles of stacking faults and deformation-induced polymorphs of metals

Abstract

Defects in crystals are not just a subject of scientific curiosity rather an im portant ingredient of solid-state science. This realization is because of the interesting structure-sensitive properties of crystalline solids emanating from the presence of a small concentration of imperfections in an otherwise perfect lattice. Practically, all the mechanical properties of materials are strongly influenced by crystal defects. The complex nature of their study stems from their tendency to lower the symmetry of the lattice, and their occurrence in varying length scales in the real crystals. Disorderliness of a periodic lattice in the vicinity of a few atoms or lattice sites is termed as a point defect, and a topological imperfection extending through the crystal forms a line or a planar defect.