Abstract
In this work, we report on changes in structure stability and electronic properties of clean and Bi-adsorbed InP(001) surface under different growth conditions. Based on the variety of reconstruction surfaces of InP(001) clean surface, we have calculated the surface energy diagram. Our results match very well with those reported in literature. The given alpha(2) and beta(2 )structures for clean InP(001) (2 x 4) surface were proposed for Bi/InP(001). We have considered seven models for each Bi/InP(001)-alpha(2) and beta(2) structures having different Bi coverage. Details of geometry, structural stability and electronic properties for the studied models are given and compared with available results in literature.