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Redistribution of Resonance Bonds and Dynamics of Two‐Center Self‐Trapping in Rare‐Gas Crystals
Author(s) -
Fugol I. Ya.,
Ratner A. M.,
Tarasova E. I.
Publication year - 1992
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221700116
Subject(s) - trapping , resonance (particle physics) , redistribution (election) , intermolecular force , exciton , excitation , molecular physics , atomic physics , chemistry , chemical physics , materials science , condensed matter physics , molecule , physics , ecology , organic chemistry , quantum mechanics , politics , political science , law , biology
It is shown that in the process of the exciton two‐center self‐trapping the resonance bonds generating a free exciton state are redistributed so that the total resonance contribution to the energy increases. 50% of the electronic excitation is concentrated inside a two‐center quasimolecule close to the self‐trapping threshold. The rest is distributed in neighbouring atoms, resulting in a generation of weaker extrinsic bonds along with the intermolecular resonance one. The attendant deformation of the molecular term produces a decrease in the self‐trapping barrier and an appreciable increase in its transparency.