Initial formation of the CaF2 interface: a theoretical study

The insulator-semiconductor CaF2-Si(111) interface is studied in the first stages of formation. The linear muffin-tin orbitals method in the atomic-sphere approximation is employed to investigated the F-Ca-Si(111) interface. The analysis of both valence and core electron states gives information about the nature of the bond between Ca, F and Si surface and allows one to interpret the available experimental data