Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructures
Figure 7
Variation of the atomic interlayer spacing close to a P-Ga-As interface, simulated by the DFT (dashed line and circles) and VFF method (straight line and circles) for short-period GaAs(4)/GaP(4) superlattices.
