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Title: Surface structure of Sn doped β-Ga2O3(010) p(1×1) studied by quantitative low energy electron diffraction

Journal Article · · Surface Science
ORCiD logo [1];  [2];  [3];  [1];  [4];  [5];  [5];  [5];  [5];  [4]
  1. Universidade Federal de Jataí (Brazil)
  2. Universidade Federal de Mato Grosso do Sul, Campo Grande (Brazil)
  3. Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
  4. Air Force Research Laboratory (AFRL), Wright-Patterson AFB, OH (United States)
  5. Univ. Paris-Saclay, Gif-sur-Yvette (France); Alternative Energies and Atomic Energy Commission (CEA), Gif-sur-Yvette (France); Centre National de la Recherche Scientifique (CNRS); Condensed Matter Physics Laboratory (SPEC), Gif-sur-Yvette (France)
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Here, we have studied the surface structure of a single crystal β-Ga2O3(010) using quantitative Low Energy Electron Diffraction (LEED) and X-ray photoelectron spectroscopy (XPS). The XPS measurements show spectra typical of stoichiometric Ga2O3 with a clean surface. LEED consistently shows a p(1x1) pattern, free of surface reconstruction. Quantitative LEED I(V) curves are acquired for 41 distinct diffraction spots. The experimental I(V) curves are compared to simulations over the first five layers. The best fits to the experimental LEED I(V) curves acquired at all diffraction spots are then used to calculate the interplanar relaxation and atomic rumpling. Significant atomic rumpling and interplanar relaxation are found over the first 5 atomic layers. As a result of rumpling a polarization of ~ 2 μC/cm2 develops in the topmost surface layer. The structural results are in good agreement with previous density functional theory calculations and experimental X-ray photoelectron diffraction.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
US Air Force Office of Scientific Research (AFOSR); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
Grant/Contract Number:
SC0012704
OSTI ID:
2478780
Report Number(s):
BNL--226384-2024-JAAM
Journal Information:
Surface Science, Journal Name: Surface Science Vol. 753; ISSN 0039-6028
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (26)

Compromising Science by Ignorant Instrument Calibration—Need to Revisit Half a Century of Published XPS Data journal March 2020
Systematic and collaborative approach to problem solving using X-ray photoelectron spectroscopy journal September 2021
Point defects induced work function modulation of β-Ga2O3 journal January 2019
Effect of annealing conditions on the optical properties and surface morphologies of (2¯01)-oriented β-Ga2O3 crystals journal February 2022
The structure of low-index surfaces of β-Ga2O3 journal April 2006
GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model journal March 2004
A comparative study of wet etching and contacts on (2¯01) and (010) oriented β-Ga2O3 journal January 2018
Review of Ga2O3-based optoelectronic devices journal December 2019
A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(001) journal April 2008
Surface structure of In2O3(111) (1×1) determined by density functional theory calculations and low energy electron diffraction journal January 2012
Role of Oxygen Vacancies on Oxygen Evolution Reaction Activity: β-Ga 2 O 3 as a Case Study journal September 2018
Materials issues and devices of α- and β-Ga 2 O 3 journal October 2019
Substrate-orientation dependence of β-Ga 2 O 3 (100), (010), (001), and (2¯01) homoepitaxy by indium-mediated metal-exchange catalyzed molecular beam epitaxy (MEXCAT-MBE) journal January 2020
Recent progress on the electronic structure, defect, and doping properties of Ga 2 O 3 journal February 2020
First-principles surface energies for monoclinic Ga 2 O 3 and Al 2 O 3 and consequences for cracking of (Al x Ga 1− x ) 2 O 3 journal September 2020
Growth of bulk β-Ga 2 O 3 single crystals by the Czochralski method journal January 2022
Reliability factors for LEED calculations journal February 1980
Recent advances in the growth of gallium oxide thin films employing various growth techniques—a review journal August 2021
The surface band structure of β-Ga 2 O 3 journal March 2011
Energy Bands for Solid Argon journal March 1964
Surface relaxation and rumpling of Sn-doped β−Ga2O3(010) journal December 2020
Optimized surface-slab excited-state muffin-tin potential and surface core level shifts journal September 2003
Procedure for LEEDI−Vstructural analysis of metal oxide surfaces:Ca1.5Sr0.5RuO4(001) journal January 2007
A Reinvestigation of β-Gallium Oxide journal June 1996
Subsurface cation vacancy stabilization of the magnetite (001) surface journal December 2014
An Overview of the Ultrawide Bandgap Ga2O3 Semiconductor-Based Schottky Barrier Diode for Power Electronics Application journal September 2018

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Related Subjects

36 MATERIALS SCIENCE
Gallium Oxide
Low Energy Electron Diffraction
Surface Reconstruction
X-ray Photoelectron Spectroscopy