Abstract
Density-functional theory and a pseudopotential plane-wave approach are employed to study the structural and electronic properties of oxygen on CdTe (001) and (111) surfaces. The energetically favored configuration for oxygen adsorption on CdTe (001) is that where the O adatoms are located at the Cd-terminated B site, while O adatoms are at the Cd-terminated H3 site of CdTe (111) surface among the structures examined. Some possible surface defects are also examined on CdTe (001) and (111) surfaces. Oxygen can easily diffuse into the CdTe substrate at the (111) surface compared with the (001) surface.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
