Reconstruction of the (111)-surfaces of homopolar semiconductors: A nonlinear polarizability model

Abstract

The phases of the (111)-surface of C, Si and Ge are studied. In the top two layers harmonic forces and bond polarizabilities are considered. The calculated 7×7 reconstruction of Si shows good agreement with experiments. The resulting 2×1 structure is compared with that predicted by other treatments. Our model gives a transition from reconstructed to 1×1 disordered phases at finite temperatures as observed in Si and Ge.