Unravelling the surface structure of β-Ga<sub>2</sub>O<sub>3</sub> (100)
Alex Sandre Kilian, Abner de Siervo, Richard Landers, G. J. P. Abreu, Mayron S. Castro, Tyson C. Back, A. Pancotti
Abstract
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.
Topics & Concepts
X-ray photoelectron spectroscopyDiffractionElectron diffractionLow-energy electron diffractionCharacterization (materials science)ChemistryScatteringDensity functional theorySingle crystalMaterials scienceCrystallographyMolecular physicsNanotechnologyComputational chemistryPhysicsOpticsNuclear magnetic resonanceGa2O3 and related materialsAdvanced Photocatalysis TechniquesElectronic and Structural Properties of Oxides