Theoretical analysis of semiconductor surface passivation by adsorption of alkaline-earth metals and chalcogens

Date

2012-08-15

Author

Srivastava, G. P.
AlZahrani, A. Z.
Usanmaz, D.

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We begin with the concept of semiconductor surface passivation by adsorption of sub-monolayer atomic coverages. We then present a theoretical analysis of structural reconstruction and passivating behaviour of semiconductor surfaces upon sub-monolayer adsorption of alkaline-earth metals (group II atoms) and chalcogens (group VI atoms). Specific results are presented from first-principles calculations for Ca adsorption on Si(0 0 1) and Si(1 1 1), and S adsorption on GaAs(0 0 1). The role of chemical species of adsorbate and surface atoms in achieving different degrees of passivation is highlighted.

Subject Keywords

Density functional theory, Pseudopotential theory, Atomic adsorption, Semiconductor surface passivation

URI

https://hdl.handle.net/11511/66459

Collections

Natural Sciences and Mathematics, Article