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Double core-hole production in N2: beating the Auger clock.

L Fang1, M Hoener, O Gessner

  • 1Physics Department, Western Michigan University, Kalamazoo, Michigan 49008, USA. lifang@slac.stanford.edu

Physical Review Letters
|September 28, 2010
PubMed
Summary

Researchers created double K-shell holes in nitrogen molecules (N2) using intense X-rays. This study reports the first direct observation of two core holes on the same atom in a molecule, matching theoretical predictions.

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Area of Science:

  • Atomic and Molecular Physics
  • Quantum Chemistry
  • X-ray Science

Background:

  • Core-hole spectroscopy is crucial for understanding molecular electronic structure.
  • Creating multiple core holes simultaneously provides insights into electron correlation effects.
  • Previous studies have explored single core-hole creation, but double core-hole states remain less understood.

Purpose of the Study:

  • To investigate the sequential double K-shell hole creation in N2 molecules.
  • To characterize the production and decay dynamics of these double core-hole states.
  • To differentiate between two types of double core holes: on the same atom versus on different atoms.

Main Methods:

  • Utilizing intense, ultrashort X-ray pulses from the Linac Coherent Light Source (LCLS) free electron laser.
  • Employing time-resolved photoelectron spectroscopy and Auger electron spectroscopy.
  • Comparing experimental results with theoretical calculations.

Main Results:

  • Directly observed the creation of double K-shell holes on the same nitrogen atom in N2.
  • Measured the production and decay pathways of these novel molecular states.
  • Established an experimental upper limit for the contribution of double core holes on different nitrogen atoms.

Conclusions:

  • The study provides the first direct experimental evidence for same-atom double core holes in a molecule.
  • Results align well with theoretical predictions, validating models of core-hole interactions.
  • Offers new insights into ultrafast electron dynamics and molecular fragmentation processes.