Quantum-chemical simulation of Frenkel pairs separation in a LiF crystal

E. Kotomin; A. Shluger

doi:10.1016/0038-1098(81)90616-5

Quantum-chemical simulation of Frenkel pairs separation in a LiF crystal

E. Kotomin^*
, A. Shluger

^*Šī darba korespondējošais autors

Pašorganizēto sistēmu kinētikas laboratorija, Cietvielu fizikas institūts

University of Latvia

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

6 Atsauces (Scopus)

Kopsavilkums

Semiempirical quantum-chemical (INDO) simulation of the creation of the primary Frenkel pairs of defects in a LiF crystal based on the Pooley-Smoluchowski mechanism of the self-trapped exciton annihilation has been undertaken. The conclusion has been drawn that this mechanism can be operative from the viewpoints of both the time and the energy needed to create the F, H pair in terms of this mechanism. Unlike the Toyozawa's model an initial vibrational excitation is not bottleneck of the decay process (cf. [8]).

Oriģinālvaloda	Angļu
Lapas (no-līdz)	669-672
Lapu skaits	4
Žurnāls	Solid State Communications
Sējums	40
Izdevuma numurs	6
DOIs	https://doi.org/10.1016/0038-1098(81)90616-5
Publikācijas statuss	Publicēts - nov. 1981

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title = "Quantum-chemical simulation of Frenkel pairs separation in a LiF crystal",

abstract = "Semiempirical quantum-chemical (INDO) simulation of the creation of the primary Frenkel pairs of defects in a LiF crystal based on the Pooley-Smoluchowski mechanism of the self-trapped exciton annihilation has been undertaken. The conclusion has been drawn that this mechanism can be operative from the viewpoints of both the time and the energy needed to create the F, H pair in terms of this mechanism. Unlike the Toyozawa's model an initial vibrational excitation is not bottleneck of the decay process (cf. [8]).",

author = "E. Kotomin and A. Shluger",

year = "1981",

month = nov,

doi = "10.1016/0038-1098(81)90616-5",

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AU - Shluger, A.

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N2 - Semiempirical quantum-chemical (INDO) simulation of the creation of the primary Frenkel pairs of defects in a LiF crystal based on the Pooley-Smoluchowski mechanism of the self-trapped exciton annihilation has been undertaken. The conclusion has been drawn that this mechanism can be operative from the viewpoints of both the time and the energy needed to create the F, H pair in terms of this mechanism. Unlike the Toyozawa's model an initial vibrational excitation is not bottleneck of the decay process (cf. [8]).

AB - Semiempirical quantum-chemical (INDO) simulation of the creation of the primary Frenkel pairs of defects in a LiF crystal based on the Pooley-Smoluchowski mechanism of the self-trapped exciton annihilation has been undertaken. The conclusion has been drawn that this mechanism can be operative from the viewpoints of both the time and the energy needed to create the F, H pair in terms of this mechanism. Unlike the Toyozawa's model an initial vibrational excitation is not bottleneck of the decay process (cf. [8]).

UR - https://www.scopus.com/pages/publications/0019635159

U2 - 10.1016/0038-1098(81)90616-5

DO - 10.1016/0038-1098(81)90616-5

M3 - Article

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JO - Solid State Communications

JF - Solid State Communications

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ER -

Quantum-chemical simulation of Frenkel pairs separation in a LiF crystal

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