Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag₂S.

ABSTRACT: Typical ductile materials are metals, which deform by the motion of defects like dislocations in association with non-directional metallic bonds. Unfortunately, this textbook mechanism does not operate in most inorganic semiconductors at ambient temperature, thus severely limiting the development of much-needed flexible electronic devices. We found a shear-deformation mechanism in a recently discovered ductile semiconductor, monoclinic-silver sulfide (Ag₂S), which is defect-free, omni-directional, and preserving perfect crystallinity. Our first-principles molecular dynamics simulations elucidate the ductile deformation mechanism in monoclinic-Ag₂S under six types of shear systems. Planer mass movement of sulfur atoms plays an important role for the remarkable structur

SUBMITTER: Misawa M 

PROVIDER: S-EPMC9663522 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature