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

Demet Usanmaz; G. P. Srivastava; A. Z. AlZahrani

doi:10.1016/j.apsusc.2012.03.166

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

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

Kettering University

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	American English
Journal	Applied Surface Science
Volume	258
DOIs	https://doi.org/10.1016/j.apsusc.2012.03.166
State	Published - Aug 15 2012

Keywords

Semiconductor surface passivation
Atomic adsorption
Pseudopotential theory
Density functional theory

Disciplines

Physical Sciences and Mathematics
Physics

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10.1016/j.apsusc.2012.03.166License: Unspecified

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title = "Theoretical analysis of semiconductor surface passivation by adsorption of alkaline-earth metals and chalcogens",

abstract = " 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. ",

keywords = "Semiconductor surface passivation, Atomic adsorption, Pseudopotential theory, Density functional theory",

author = "Demet Usanmaz and Srivastava, {G. P.} and AlZahrani, {A. Z.}",

note = "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).",

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T1 - Theoretical analysis of semiconductor surface passivation by adsorption of alkaline-earth metals and chalcogens

AU - Usanmaz, Demet

AU - Srivastava, G. P.

AU - AlZahrani, A. Z.

N1 - 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).

PY - 2012/8/15

Y1 - 2012/8/15

N2 - 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.

AB - 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.

KW - Semiconductor surface passivation

KW - Atomic adsorption

KW - Pseudopotential theory

KW - Density functional theory

UR - https://www.sciencedirect.com/science/article/pii/S0169433212006198

U2 - 10.1016/j.apsusc.2012.03.166

DO - 10.1016/j.apsusc.2012.03.166

M3 - Article

VL - 258

JO - Applied Surface Science

JF - Applied Surface Science

ER -

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

Abstract

Keywords

Disciplines

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