Role of Oxygen and Fluorine in Passivation of the GaSb(111) Surface Depending on Its Termination
The mechanism of the chemical bonding of oxygen and fluorine on the GaSb(111) surface depending on its termination is studied by the projector augmented-waves method within density functional theory. It is shown that on an unreconstructed (111) surface with a cation termination, the adsorption of fl...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2022-03-01
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Series: | Crystals |
Subjects: | |
Online Access: | https://www.mdpi.com/2073-4352/12/4/477 |