COMPUTER SIMULATION OF STRUCTURE AND DIMENSIONS OF OXYGEN-OCTAADRIC CLUSTERS IN LITHIUM NIOBATE CRYSTAL AND THE DYNAMICS OF THEIR DEVELOPMENT WITH CHANGES IN COMPOSITION

COMPUTER SIMULATION OF STRUCTURE AND DIMENSIONS OF OXYGEN-OCTAADRIC CLUSTERS IN LITHIUM NIOBATE CRYSTAL AND THE DYNAMICS OF THEIR DEVELOPMENT WITH CHANGES IN COMPOSITION

The peculiarities of formation of energetically equilibrium dipole oxygen-octahedral clusters in the structure of a ferroelectric crystal of lithium niobate (LiNbO3) have been studied by computer simulation. It is shown that there is an optimal relationship between the cluster energy, its size, and...

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Veröffentlicht in:Fiziko-himičeskie aspekty izučeniâ klasterov, nanostruktur i nanomaterialov (Online) nanostruktur i nanomaterialov (Online), 2017-12 (9), p.140-146
Hauptverfasser: Voskresensky, V.M., Starodub, O.R., Sidorov, N.V., Palatnikov, M.N., Tananaev, I.V.
Format: Artikel
Sprache:eng ; rus
Schlagworte:
clusters
defects of sublattice
lithium niobate
modeling
vacancy models
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Zusammenfassung:The peculiarities of formation of energetically equilibrium dipole oxygen-octahedral clusters in the structure of a ferroelectric crystal of lithium niobate (LiNbO3) have been studied by computer simulation. It is shown that there is an optimal relationship between the cluster energy, its size, and the Li / Nb ratio.
ISSN:2226-4442
2658-4360
DOI:10.26456/pcascnn/2017.9.140