Abstract
It has often been observed that an element locating in an underlayer can segregate to the top surface of a layered structure. Whether in a vacuum or inert atmosphere, a method for predicting such segregation has been previously established. However, the annealing of a layered structure is sometimes carried out in an oxygen atmosphere. Therefore, the influence of oxygen in an annealing atmosphere upon the surface segregation behavior in layered materials is discussed here in. The energetics of oxygen adsorption onto each element within a layered material is considered. A formula for the prediction of surface segregation under an oxygen atmosphere is proposed. By introducing a general method to estimate the oxygen adsorption energy to metals and elemental semiconductors, some prediction examples are provided and are compared with experimental results.