skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Loss for photoemission versus gain for Auger: Direct experimental evidence of crystal-field splitting and charge transfer in photoelectron spectroscopy

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [1];  [2]
  1. National Institute of Standards and Technology, Gaithersburg, MD (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)

Here, we find a 5 eV satellite in the Ti1s photoelectron spectrum of the transition-metal oxide SrTiO3. This satellite appears in addition to the well-studied 13 eV structure that is typically associated with the Ti2p core line. We give direct experimental evidence that the presence of two satellites is due to the crystal-field splitting of the metal 3d orbitals. They originate from ligand 2pt2g → metal3dt2g and ligand 2peg → metal 3deg monopole charge-transfer excitations within the sudden approximation of quantum mechanics. This assignment is made by the energetics of the resonant and high-energy threshold behaviors of the TiK–L2L3 Auger decay that follows Ti1s photoionization.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC00112704
OSTI ID:
1341499
Alternate ID(s):
OSTI ID: 1193886
Report Number(s):
BNL-108202-2015-JA; PRBMDO; R&D Project: LS001
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 20; ISSN 1098-0121
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 17 works
Citation information provided by
Web of Science

References (28)

Excitation Accompanying Photoionization in Atoms and Molecules and its Relationship to Electron Correlation journal October 1971
Band gaps and electronic structure of transition-metal compounds journal July 1985
Threshold and near-threshold photoelectron spectroscopy around the Ar K edge journal January 1994
NIST high throughput variable kinetic energy hard X-ray photoelectron spectroscopy facility journal October 2013
Satellite phenomena in the X-ray photoelectron spectra of some titanium compounds journal September 1974
Charge transfer shake-up satellites in X-ray photoelectron spectra of cations and anions of SrTiO3, TiO2 and Sc2O3 journal March 1975
2s and 2p X-ray photoelectron spectra of Ti4+ ion in TiO2 journal May 1976
Theory of core level X-ray photoemission and photoabsorption in Ti compounds journal March 1993
Electronic structure of early 3 d -transition-metal oxides by analysis of the 2 p core-level photoemission spectra journal January 1996
Electronic structure of 3d-transition-metal oxides: on-site Coulomb repulsion versus covalency journal January 1999
Natural widths of atomic K and L levels, K α X‐ray lines and several K L L Auger lines journal April 1979
Ferroelectric distortion in SrTiO 3 thin films on Si ( 001 ) by x-ray absorption fine structure spectroscopy: Experiment and first-principles calculations journal April 2007
Angular dependence of X-ray absorption spectra journal January 1990
Pre-edge fine structure of the 3d atom K x-ray absorption spectra and quantitative atomic structure determinations for ferroelectric perovskite structure crystals journal October 1998
The 1s x-ray absorption pre-edge structures in transition metal oxides journal February 2009
Quadrupolar Transitions Evidenced by Resonant Auger Spectroscopy journal May 2002
X-Ray Resonant Raman Scattering: Observation of Characteristic Radiation Narrower than the Lifetime Width journal March 1976
Observation of the Auger Resonant Raman Effect journal December 1980
Determination of time scales for charge-transfer screening in physisorbed molecules journal March 1992
Direct observation of electron dynamics in the attosecond domain journal July 2005
Charge transfer from core-excited argon adsorbed on clean and hydrogenated Si(100): ultrashort timescales and energetic structure journal May 2009
Threshold Excitation of Short-Lived Atomic Inner-Shell Hole States with Synchrotron Radiation journal March 1985
Radiationless resonant Raman scattering at the Ar K edge journal December 1999
Bulk electronic structure of SrTiO3: Experiment and theory journal December 2001
Comment on ‘‘Origin of Cu and Zn L 2 - and L 3 - M 45 M 45 Auger satellites: Breakdown of the sudden approximation’’ journal February 1991
Initial- and final-state excitations in K L 23 L 23 Auger spectra of Cu and Ni metals, induced near threshold journal May 2006
Exciton satellites in photoelectron spectra journal April 1984
Real-time cumulant approach for charge-transfer satellites in x-ray photoemission spectra journal March 2015

Cited By (1)

A novel laboratory-based hard X-ray photoelectron spectroscopy system journal July 2018