Unknown

Dataset Information

0

Emergence of correlated proton tunnelling in water ice.


ABSTRACT: Several experimental and theoretical studies report instances of concerted or correlated multiple proton tunnelling in solid phases of water. Here, we construct a pseudo-spin model for the quantum motion of protons in a hexameric H2O ring and extend it to open system dynamics that takes environmental effects into account in the form of O-H stretch vibrations. We approach the problem of correlations in tunnelling using quantum information theory in a departure from previous studies. Our formalism enables us to quantify the coherent proton mobility around the hexagonal ring by one of the principal measures of coherence, the l 1 norm of coherence. The nature of the pairwise pseudo-spin correlations underlying the overall mobility is further investigated within this formalism. We show that the classical correlations of the individual quantum tunnelling events in long-time limit is sufficient to capture the behaviour of coherent proton mobility observed in low-temperature experiments. We conclude that long-range intra-ring interactions do not appear to be a necessary condition for correlated proton tunnelling in water ice.

SUBMITTER: Pusuluk O 

PROVIDER: S-EPMC6545048 | BioStudies | 2019-01-01

REPOSITORIES: biostudies

Similar Datasets

2020-01-01 | S-EPMC6965181 | BioStudies
2020-01-01 | S-EPMC7048423 | BioStudies
2019-01-01 | S-EPMC6890755 | BioStudies
2019-01-01 | S-EPMC6416330 | BioStudies
2016-01-01 | S-EPMC5052722 | BioStudies
2015-01-01 | S-EPMC4586880 | BioStudies
1000-01-01 | S-EPMC5353627 | BioStudies
2017-01-01 | S-EPMC5593884 | BioStudies
1000-01-01 | S-EPMC5399288 | BioStudies
1000-01-01 | S-EPMC5116092 | BioStudies