Electronic Structure of Sulfur Passivation GaAs(100) Surface
-
Graphical Abstract
-
Abstract
The adsorption of one monolayer S atoms on an ideal GaAs(10 0) surface is studied by using the self-consistent tight-binding linear muffin- tin orbital method. The S atoms chemisorption on Ga-terminated and As-terminat ed surface are considered respectively. Adsorption energies of a S atom on diffe rent sites are calculated. The layer projected density of states for S atoms cov ered GaAs(100) surface is studied and compared with that of the clean surface. T he charge transfer is investigated. It is...
-
-