Unravelling the surface structure of ß-Ga2O3 (100).
RSC Adv
; 13(40): 28042-28050, 2023 Sep 18.
Article
en En
| MEDLINE
| ID: mdl-37746337
The present work is on a comprehensive surface atomic structure investigation of ß-Ga2O3 (100). The ß-Ga2O3 single crystal was studied by a structural model system in the simulations and in situ characterization via X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED) and X-ray photoelectron diffraction (XPD) allowed for probing the outermost layers' properties. In situ XPD characterization allows for the collection of valuable element-specific short-range information from the ß-Ga2O3 surface, and the results were compared to a systematic and precise multiple scattering simulation approach. The experiments, characterizations, and simulations indicated strong evidence of considerable structural variations in the interatomic layer's distances. Such atomic displacement could clarify the electronic phenomena observed in theoretical studies. The comparison between experimental and theoretical XPD results involving multiple scattering calculations indicated that the ß-Ga2O3 surface has two possible terminations. The best fits to the photoelectron diffraction curves are used to calculate the interplanar relaxation in the first five atomic layers. The results show good agreement with previous density functional theory calculations, establishing XPD as a useful tool for probing the atomic structure of oxide surfaces.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
RSC Adv
Año:
2023
Tipo del documento:
Article
Pais de publicación:
Reino Unido