Polarization-dependent resonant inelastic x-ray scattering of β-Ga2O3: An experimental and computational study
Source abstract
Abstract
The bulk electronic structure of β-Ga2O3 single crystals was investigated using oxygen K-edge x-ray emission and absorption spectroscopy as well as resonant inelastic soft x-ray scattering. Spectra were obtained for different orientations of the crystal planes with respect to the polarization vector of the incident x-ray beam. The spectra are analyzed with calculations based on density functional theory and using the Bethe–Salpeter equation in the ocean code to take the core–hole interaction into account. These calculations correctly capture all the main features in the experimental spectra, demonstrating the potential of the approach to predict the electronic properties of similar compounds. We find a pronounced anisotropy as a function of the excitation polarization vector and significant differences in the spectral contributions from the inequivalent oxygen atoms of β-Ga2O3.
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Research context
OpenAlex topics: Ga2O3 and related materials · Advanced Photocatalysis Techniques · ZnO doping and properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute for Photon Science and Synchrotron Radiation (IPS), Karlsruhe Institute of Technology (KIT) 1 , Kaiserstraße 12, 76131 Karlsruhe,
Material Measurement Laboratory, National Institute of Standards and Technology (NIST) 2 , Gaithersburg, Maryland 20899,
Institute for Chemical Technology and Polymer Chemistry (ITCP), Karlsruhe Institute of Technology (KIT) 3 , Kaiserstraße 12, 76131 Karlsruhe,
Department of Chemistry and Biochemistry, University of Nevada 4 , Las Vegas (UNLV), 4505 Maryland Parkway, Las Vegas, Nevada 89154-4003,
Advanced Light Source, Lawrence Berkeley National Laboratory 5 , 1 Cyclotron Road, Berkeley, California 94720,
Chemical Sciences Division, Lawrence Berkeley National Laboratory 6 , 1 Cyclotron Road, Berkeley, California 94720,
Funding
Bundesministerium für Wirtschaft und Klimaschutz · Deutsche Forschungsgemeinschaft · Advanced Light Source
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