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Influence of chemical bonds on Bi and Sb XPS shifts in Bi2S3and Sb2S3crystals
2004
Lithuanian Journal of Physics
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The paper presents the results of theoretical calculations of the shifts of Bi and Sb X-ray photoelectron spectra (XPS) due to chemical bond formation in Bi2S3 and Sb2S3 crystals. The energies of core levels of Bi, Sb, and S atoms are calculated by both the Hartree-Fock-Dirac (HFD) and Hartree-Fock methods and compared with the experimental values. The HFD method explains well the experimentally obtained spin-orbit splitting of the XPS. However, both theoretical methods give higher negative
doi:10.3952/lithjphys.44604
fatcat:bdaittcsa5gd5hgvsji3w6uvia