MATHEMATICAL SIMULATION OF CLUSTER FORMATION IN LITHIUM NIOBATE CRYSTALS WITH INTRODUCTION OF THE IMPURITY ION

MATHEMATICAL SIMULATION OF CLUSTER FORMATION IN LITHIUM NIOBATE CRYSTALS WITH INTRODUCTION OF THE IMPURITY ION

Processes of clustering in a lithium niobate crystal (LiNbO3) were studied. It is shown that the cluster with the ratio Li / Nb ≈ 0,945, which is close to the ratio of lithium to niobium in a congruent crystal, is the most energy-efficient cluster. It was found that because of the loss of electroneu...

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Veröffentlicht in:Fiziko-himičeskie aspekty izučeniâ klasterov, nanostruktur i nanomaterialov (Online) nanostruktur i nanomaterialov (Online), 2018-12 (10), p.609-617
Hauptverfasser: Starodub, O.R., Voskresenskij, V.M., Sidorov, N.V., Palatnikov, M.N.
Format: Artikel
Sprache:eng ; rus
Schlagworte:
clusters
ferroelectrics
lithium niobate
modeling
single crystals
sublattice defects
vacancy models
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Zusammenfassung:Processes of clustering in a lithium niobate crystal (LiNbO3) were studied. It is shown that the cluster with the ratio Li / Nb ≈ 0,945, which is close to the ratio of lithium to niobium in a congruent crystal, is the most energy-efficient cluster. It was found that because of the loss of electroneutrality, a cluster of stoichiometric composition can not exist. It is established that there is an optimal relationship between the energy of the cluster, its size and the Li / Nb ratio.
ISSN:2226-4442
2658-4360
DOI:10.26456/pcascnn/2018.10.609