Dynamics of Electron-Transfer-Mediated Decay in a Weakly Bound Trimer

Area of Science:

• Atomic and molecular physics
• Physical chemistry
• Surface science

Background:

• Ion reduction is crucial in surface physics and radiation biology.
• Electron-transfer-mediated decay (ETMD) is an efficient neutralization pathway in weakly bound systems.
• The role of nuclear dynamics and geometry in ETMD remains unclear.

Purpose of the Study:

• Investigate the NeKr2 trimer following core ionization of the Ne atom.
• Analyze the competition between ETMD and direct dissociation.
• Quantify ETMD efficiency in asymmetric configurations.

Main Methods:

• Fully dimensional nuclear dynamics calculations.
• ETMD decay rate calculations.
• Development of a new 1/R^6 asymptotic expression for decay width.

Main Results:

• ETMD leads to Coulomb explosion, competing with direct dissociation.
• Charge and energy transfer in asymmetric NeKr2 trimers occur along different Ne-Kr distances.
• ETMD efficiency increases with the number of neighboring atoms.

Conclusions:

• ETMD is a significant process in weakly bound environments like clusters and liquids.
• Nuclear dynamics and geometry play a crucial role in ETMD.
• The findings advance understanding of ion neutralization mechanisms.