Comparative Studies on Structural Properties and Total Energetics of Nonequivalent Hexagonal Polytypes for a Wide Variety of Metallic Systems
Taku Miyakawa,
Koji Moriguchi
Abstract:Since the functionalities of materials usually originate from the spatial inhomogeneity in the associated systems, the local inhomogeneity such as defect, surface, interface, and nanostructure often assumes an important role for developing sophisticated materials. In this paper, among the many phenomena related to inhomogeneity in materials, we will report our computational research on the phenomenon called "Polytypism".
Polytypism is a special case of polymorphism when the two polymorphs diffe… Show more
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