Quantum simulation of collective proton tunneling in hexagonal ice crystals.
The effect of proton tunneling on many-body correlated proton transfer in hexagonal ice is investigated by quantum simulation. Classical single-particle hopping along individual hydrogen bonds leads to charge defects at high temperature, whereas six protons in ringlike topologies can move concertedly as a delocalized quasiparticle via collective tunneling at low temperature, thus preventing the creation of high-energy topological defects. Our findings rationalize many-body quantum tunneling in hydrogen-bonded networks and suggest that this phenomenon might be more widespread than previously thought.
Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Christof
C
Drechsel-Grau
Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Dominik
D
Marx
D003198:Computer Simulation; D003460:Crystallization; D007053:Ice; D011522:Protons; D011789:Quantum Theory; D013816:Thermodynamics
D007053:Ice; D011522:Protons