Spatial distribution of elements of charged Frenkel defect pairs in alkali-halide crystals

P. V. Bochkanov, V. I. Korepanov, V. M. Lisitsyn

Division for Materials Science

Research output: Contribution to journal › Article

Abstract

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.

Original language	English
Pages (from-to)	171-174
Number of pages	4
Journal	Soviet Physics Journal
Volume	32
Issue number	3
DOIs	https://doi.org/10.1007/BF00897377
Publication status	Published - Mar 1989

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ASJC Scopus subject areas

Physics and Astronomy(all)

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Bochkanov, P. V., Korepanov, V. I., & Lisitsyn, V. M. (1989). Spatial distribution of elements of charged Frenkel defect pairs in alkali-halide crystals. Soviet Physics Journal, 32(3), 171-174. https://doi.org/10.1007/BF00897377

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author = "Bochkanov, {P. V.} and Korepanov, {V. I.} and Lisitsyn, {V. M.}",

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N2 - 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.

AB - 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.

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10.1007/BF00897377