XPS X-ray absorption and X-ray photoemission XAS and XPS I ( FIXED - - PowerPoint PPT Presentation

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XPS X-ray absorption and X-ray photoemission XAS and XPS I ( FIXED ) Charge transfer effects in XAS and XPS Charge transfer effects in XAS and XPS Transition metal oxide: Ground state: 3d 5 + 3d 6 L Energy of 3d 6 L: Charge transfer

SLIDE 1

XPS

SLIDE 2

I(FIXED)

X-ray absorption and X-ray photoemission

XAS and XPS

SLIDE 3

3d6L

Transition metal oxide: Ground state: 3d5 + 3d6L
Energy of 3d6L: Charge transfer energy 

XAS 2p53d7L

+U-Q   

2p53d6 3d5 2p53d6L XPS 2p53d5

-Q

Ground State

Charge transfer effects in XAS and XPS

SLIDE 4

6 7 8 9 10 5 10 15 Energy (eV) 3d count

 +U-Q

Charge Transfer Effects in XAS

Charge transfer effects in XAS

SLIDE 5

Charge transfer

Charge transfer effects in XAS

XAS = neutral Self screened Small charge transfer satellites

SLIDE 6

6 7 8 9 10 5 10 15 Energy (eV) 3d count

 -Q

Charge Transfer Effects in XPS

Charge transfer effects in XPS

SLIDE 7

Charge transfer effects in XPS

XAS = neutral Self screened Small charge transfer satellites XPS = ionising Large screening Large charge transfer satellites

SLIDE 8

Charge transfer effects in XPS

1s and 2p XPS of Fe2O3

SLIDE 9

Charge transfer effects in XPS

1s and 2p XPS of Fe2O3

SLIDE 10

Charge transfer effects in XPS

1s and 2p XPS of Fe2O3

SLIDE 11

Charge transfer effects in XPS

1s and 2p XPS of Fe2O3

SLIDE 12

Resonant Auger of NiO

SLIDE 13

Resonant Auger of NiO

Phys. Rev. B. 59, 9933 (1999)

SLIDE 14

Resonant Auger of NiO

Phys. Rev. B. 59, 9933 (1999)

3d8 → 2p53d9 2p53d9 → 3s03d9ε

SLIDE 15

Resonant Auger of NiO

Phys. Rev. B. 59, 9933 (1999)

3d8 → 2p53d9 3d9L→ 2p53d10L 2p53d9 → 3s03d9ε 2p53d10L → 3s03d10ε ONLY 2 PEAKS

SLIDE 16

Resonant Auger of NiO

Phys. Rev. B. 59, 9933 (1999)

SLIDE 17

Resonant Auger of NiO

Phys. Rev. B. 59, 9933 (1999)

SLIDE 18

Resonant Auger of NiO

SLIDE 19

3d XPS of La2O3

SLIDE 20

3d XPS of La2O3

“La 3d XPS are due to multiplet effects”

SLIDE 21

Thermo Fischer explanations on XPS

“La 3d XPS are due to multiplet effects?” 4f0 transition to 3d9 4f0 + e, so there are NO multiplets (no e-e interactions)

3d XPS of La2O3

SLIDE 22

Thermo Fischer explanations on XPS

“La 3d XPS are due to multiplet effects?” Explanation by Kotani’s group: J. Elec. Spec. 60, 257 (1992) Peaks split due to charge transfer effect

3d XPS of La2O3

SLIDE 23

3d XPS of CeO2

J. Elec. Spec. 60, 257 (1992)

3d3/2 3d5/2 4f0 [4f1 + 4f2]