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First-principles X-ray photoelectron spectroscopy binding energy shift calculation for boron and aluminum defects in 3C-silicon carbide
2019
Japanese Journal of Applied Physics
We systematically investigated the core-level X-ray photoelectron spectroscopy (XPS) binding energy shifts of B 1s and Al 2p and formation energies for defects including boron and aluminum in 3C-silicon carbide (SiC) by first-principles calculation. We analyzed the relation between the XPS binding energy shift and defect states and found that the defects with localized electrons in the band gap or energy gap in the valence band have larger XPS relaxation energies (XPSREs) than those without
doi:10.7567/1347-4065/aafc52
fatcat:qi2urzq46jbw3lfyv42zcycldy