path probability method (PPM). – TechConnect Briefs

Mechanical and Electronic Properties of Strained Layer Superlattices Studied by Density Functional TB and Path Probability Methods

Masuda-Jindo K., Kikuchi R., Tokyo Institute of Technology, JP

The atomic and electronic structures of semiconductor heterostructures including steps, misfit dislocations and interface disorder are studied by using the density-functional tight-binding (TB) method. Atomic structures of misfit dislocations both edge type 1/2 (001) and [...]