Ion vibrations in alkali-halide crystals are investigated by the molecular dynamics method during decay of the molecular ion X2 -. The high efficiency of the athermal separation of the α-, I-pair by displacement of the dynamic crowdion that is formed during decay of the molecular halide ion from the pre defect state or during charge-transfer of the F-, H-pair during their separation is proved. It is established that α-, I-pairs are stable to annihilation if at the time of formation they turn out to be separated by a distance exceeding two interstial spacings.
ASJC Scopus subject areas
- Physics and Astronomy(all)