SURFACE ENERGY OF SEMICONDUCTORS COVERED WITH THIN LAYERS OF VARIOSU MATERIALS

摘要

Surface energy of III-V semiconductors ended by (110) clean surface and surface covered by atomci monolayer of aluminium, copper and sulphur has been calculated. We have used the Greens-function technique based on the scheme of linear muffin-tin orbitals in the atomic sphere Approximation (LMTO-ASA) for the crystal potential and with the local density approximation (LDA) for electrons. Two types of coverage are considered: full monolaeyr with two additional atoms per two-dimensional unit cell and half monolayer with one additional atom per unit cell. Full monolayer of metallic atoms increases the surface energy. Cu atoms lead to greater destabilization than Al atoms. Sulphur atoms stabilize the (110) surface for all considered compounds.