Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructures
Figure 11
Energy shifts and definition of deformation potentials associated with a pure biaxial strain along the axis at the Γ and points for zinc-blende semiconductors. Splittings of electronic states at the point are also defined. Folding of states at the Γ point is associated with the doubling of the primitive unit cell. The tetragonal primitive cell is shown in insert.
