Halogen adsorption at an As-stabilized β2–GaAs (001)–(2 × 4) surface

Journal Article · Mon Feb 15 04:00:00 EST 2016 · Semiconductors

DOI:https://doi.org/10.1134/S1063782616020056· OSTI ID:22645621

Kulkova, S. E. ^[1]

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1. Russian Academy of Sciences, Institute of Strength Physics and Materials Science, Siberian Branch (Russian Federation)

Halogen (F, Cl, Br, and I) adsorption at an As-stabilized GaAs (001) surface with the β2–(2 × 4) reconstruction is studied using the plane-wave projected-augmented wave method. The effect of halogens on the structural and electronic characteristics of the semiconductor surface is analyzed. The T{sub 2}′ site at the missing row edge is shown to be the energetically most favorable for the adsorption of F, Cl, and Br, whereas I prefers the H{sub 3} site between adjacent arsenic dimers in the third layer from the surface. Ga-halogen bond formation suggests that charge is transferred via the depletion of occupied orbitals of the As-dimer surface atoms, which leads to the weakening of Ga–As bonds in the substrate. The weakening of bonds between substrate-surface atoms due to the interaction of halogens with the surface is estimated.

• OSTI ID: 22645621
• Journal Information: Semiconductors, Journal Name: Semiconductors Journal Issue: 2 Vol. 50; ISSN SMICES; ISSN 1063-7826
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ADSORPTION
ARSENIC
CHEMICAL BONDS
CRYSTAL STRUCTURE
DIMERS
GALLIUM ARSENIDES
HALOGENS
LAYERS
SEMICONDUCTOR MATERIALS
SUBSTRATES
SURFACES