Dislocation core properties of \beta-tin: A first-principles study

摘要: Dislocation core properties of tin (\beta-Sn) were investigated using the semi-discrete variational Peierls-Nabarro model (SVPN). The SVPN model, which connects continuum elasticity treatment long-range strain field around a dislocation with an approximate core, was employed to calculate various properties, including energetics, widths, and Peierls stresses for different structures. role energetics on character subsequent slip behavior in \beta-Sn investigated. For instance, this work shows that widely spread {110} plane as compared dislocations {100} {101} planes. Physically, narrowing or widening will significantly affect mobility stress is exponentially related width \beta-Sn. In general, screw found be orders magnitude higher than edge dislocation, i.e., more component mixed greater (lower stress). largest observed 365 MPa plane. Furthermore, from density plot, we see double peak 0deg (screw) 30deg suggests dissociation along these Thus, system, into three partials metastable states. Overall, provides qualitative insights aid understanding plastic deformation