Computer modelling of radiation damage in cation sublattice of corundum

E. A. Kotomin; A. I. Popov; A. Stashans

doi:10.1002/(SICI)1521-3951(199805)207:1<69::AID-PSSB69>3.0.CO;2-B

Computer modelling of radiation damage in cation sublattice of corundum

E. A. Kotomin^*
, A. I. Popov
, A. Stashans

^*Šī darba korespondējošais autors

Pašorganizēto sistēmu kinētikas laboratorija, Cietvielu fizikas institūts

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

12 Atsauces (Scopus)

Kopsavilkums

Results of quantum chemical computer simulations of close Frenkel defects in corundum crystals are presented and discussed. The conclusion is drawn that the energy barrier for a back recombination up to fourth nearest neighbours is less than 0.3 eV, i.e. such pairs should be unstable at temperatures above 40 K.

Oriģinālvaloda	Angļu
Lapas (no-līdz)	69-73
Lapu skaits	5
Žurnāls	Physica Status Solidi (B): Basic Research
Sējums	207
Izdevuma numurs	1
DOIs	https://doi.org/10.1002/(SICI)1521-3951(199805)207:1<69::AID-PSSB69>3.0.CO;2-B
Publikācijas statuss	Publicēts - maijs 1998

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title = "Computer modelling of radiation damage in cation sublattice of corundum",

abstract = "Results of quantum chemical computer simulations of close Frenkel defects in corundum crystals are presented and discussed. The conclusion is drawn that the energy barrier for a back recombination up to fourth nearest neighbours is less than 0.3 eV, i.e. such pairs should be unstable at temperatures above 40 K.",

author = "Kotomin, \{E. A.\} and Popov, \{A. I.\} and A. Stashans",

year = "1998",

month = may,

doi = "10.1002/(SICI)1521-3951(199805)207:1<69::AID-PSSB69>3.0.CO;2-B",

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journal = "Physica Status Solidi (B): Basic Research",

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T1 - Computer modelling of radiation damage in cation sublattice of corundum

AU - Kotomin, E. A.

AU - Popov, A. I.

AU - Stashans, A.

PY - 1998/5

Y1 - 1998/5

N2 - Results of quantum chemical computer simulations of close Frenkel defects in corundum crystals are presented and discussed. The conclusion is drawn that the energy barrier for a back recombination up to fourth nearest neighbours is less than 0.3 eV, i.e. such pairs should be unstable at temperatures above 40 K.

AB - Results of quantum chemical computer simulations of close Frenkel defects in corundum crystals are presented and discussed. The conclusion is drawn that the energy barrier for a back recombination up to fourth nearest neighbours is less than 0.3 eV, i.e. such pairs should be unstable at temperatures above 40 K.

UR - https://www.scopus.com/pages/publications/0032385713

U2 - 10.1002/(SICI)1521-3951(199805)207:1<69::AID-PSSB69>3.0.CO;2-B

DO - 10.1002/(SICI)1521-3951(199805)207:1<69::AID-PSSB69>3.0.CO;2-B

M3 - Article

AN - SCOPUS:0032385713

SN - 0370-1972

VL - 207

SP - 69

EP - 73

JO - Physica Status Solidi (B): Basic Research

JF - Physica Status Solidi (B): Basic Research

IS - 1

ER -

Computer modelling of radiation damage in cation sublattice of corundum

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