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

^*Corresponding author for this work

Laboratory of Kinetics in Self-Organizing Systems, Institute of Solid State Physics

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

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.

Original language	English
Pages (from-to)	69-73
Number of pages	5
Journal	Physica Status Solidi (B): Basic Research
Volume	207
Issue number	1
DOIs	https://doi.org/10.1002/(SICI)1521-3951(199805)207:1<69::AID-PSSB69>3.0.CO;2-B
Publication status	Published - May 1998

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

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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",

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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.

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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

Abstract

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