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Photoinduced Structural Instability Toward the Superionic Phase Transition in Cu2S.
Gaël Privault1, Kaito En-Ya2, Keito Sano3
1Institute of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Japan.
Photoexcitation rapidly destabilizes copper ordering in copper(I) sulfide (Cu2S), initiating its transition to a superionic phase. This ultrafast process, observed via time-resolved electron diffraction, reveals key dynamics in superionic materials.
Area of Science:
- Materials Science
- Solid-State Physics
- Photochemistry
Background:
- Copper(I) sulfide (Cu2S) exhibits a semiconductor-to-superionic phase transition.
- This transition involves the destabilization of the ordered copper (Cu) sublattice.
- Understanding the dynamics of this transition is crucial for developing advanced materials.
Purpose of the Study:
- To investigate the structural dynamics of photoexcited Cu2S.
- To elucidate the ultrafast microscopic pathway toward the superionic phase.
- To provide insights into photoinduced structural dynamics in superionic materials.
Main Methods:
- Time-resolved electron diffraction (picoseconds to milliseconds).
- Fluence-dependent measurements to identify thresholds.
- Density functional theory (DFT) calculations.
Main Results:
- Rapid suppression (80%-90%) of semiconducting phase superlattice reflections within ~10 ps.
- Prompt destabilization of Cu ordering observed.
- Slower lattice expansion (~100 ps) and lattice strain (~0.7%) detected.
- Fluence threshold identified for sublattice destabilization.
- DFT calculations confirm photoexcitation populates antibonding states, weakening Cu-S bonds.
Conclusions:
- Photoexcitation promptly destabilizes the ordered Cu sublattice in Cu2S.
- Ultrafast microscopic pathway toward the superionic phase is revealed.
- Findings offer insights into photoinduced structural dynamics in superionic materials.
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