Introduction into X-ray and UV Photoelectron Spectroscopy (XPS/UPS)

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2,0x10 61,5x10 61,0x10 65,0x10 50,0Au NVVAu 4d100 200 300 400 500 600E kin [eV]Au 4fAu 5pVBElemental ShiftsBinding Energy (eV)Element 2p3/2 3p ∆Fe 707 53 654Co 778 60 718Ni 853 67 786Cu 933 75 858Zn 1022 89 933Electron-nucleus attraction helps us identify theelementsAu(111)intensity [arb.u]
2,0x10 61,5x10 61,0x10 65,0x10 50,0Au NVVAu 4d100 200 300 400 500 600E kin [eV]Au 4fAu 5pVBThe Sudden ApproximationAssumes the remaining orbitals (often called the passive orbitals) arethe same in the final state as they were in the initial state (also calledthe frozen-orbital orbital approximation). Under this assumption, the <strong>XPS</strong>experiment measures the negative Hartree-Fock orbital energy:Koopman’s Binding EnergyE B,K ≅ -ε B,KActual binding energy will represent the readjustment of the N-1charges to minimize energy (relaxation):E B = EN-1f - ENiAu(111)intensity [arb.u]
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Introduction into X-ray and UV Photoelectron Spectroscopy (XPS/UPS)

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