Fig. 4
Deformation mechanism of α-Ag2S under pure shear load along the (100)[010] slip system. a The initial structure at 0.0 shear strain. b Atomic structure at 0.671 shear strain, at which the newly formed Ag1−Ag5 bond starts to strengthen the system. c Atomic structure at 1.087 shear strain, before the structural failure. d Atomic structure at the failure strain of 1.102. e The typical bond lengths (Ag5−S1, Ag1−Ag5, Ag2−S1, Ag1−S1, and Ag3−S1) as a function of shear strain
