RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD

RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD

A study of the processes occurring during the formation of the energy equilibrium oxygen octahedral clusters of lithium niobate crystal is carried out. It is shown that there is energetically favorable size of a cluster, and due to the loss of electrical neutrality cluster of stoichiometric composit...

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Main Authors: V.M. Voskresensky, O.R. Starodub, N.V. Sidorov, M.N. Palatnikov
Format: Article
Language:Russian
Published: Tver State University 2015-11-01
Series:Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
Subjects:
lithium niobate
cluster
simulation
Online Access:http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%92%D0%BE%D1%81%D0%BA%D1%80%D0%B5%D1%81%D0%B5%D0%BD%D1%81%D0%BA%D0%B8%D0%B9%20%D0%92%D0%9C.pdf
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spelling doaj-9e3e4f52b8df439cb55378ef741c6a4a2020-11-24T21:49:10ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602015-11-017165173RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHODV.M. Voskresensky0O.R. Starodub1N.V. Sidorov2M.N. Palatnikov3I.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials of the Russian Academy of Sciences Kola Science CenterI.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials of the Russian Academy of Sciences Kola Science CenterI.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials of the Russian Academy of Sciences Kola Science CenterI.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials of the Russian Academy of Sciences Kola Science CenterA study of the processes occurring during the formation of the energy equilibrium oxygen octahedral clusters of lithium niobate crystal is carried out. It is shown that there is energetically favorable size of a cluster, and due to the loss of electrical neutrality cluster of stoichiometric composition cannot exist. The most favorable energy corresponds to the cluster with a ratio of Li/Nb≈0,945, , which is close to the ratio of lithium to niobium in congruent crystal.http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%92%D0%BE%D1%81%D0%BA%D1%80%D0%B5%D1%81%D0%B5%D0%BD%D1%81%D0%BA%D0%B8%D0%B9%20%D0%92%D0%9C.pdflithium niobateclustersimulation
collection DOAJ
language Russian
format Article
sources DOAJ
author V.M. Voskresensky
O.R. Starodub
N.V. Sidorov
M.N. Palatnikov
spellingShingle V.M. Voskresensky
O.R. Starodub
N.V. Sidorov
M.N. Palatnikov
RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
lithium niobate
cluster
simulation
author_facet V.M. Voskresensky
O.R. Starodub
N.V. Sidorov
M.N. Palatnikov
author_sort V.M. Voskresensky
title RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD
title_short RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD
title_full RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD
title_fullStr RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD
title_full_unstemmed RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD
title_sort research of cluster formation in crystals of lithium niobate by computer modeling method
publisher Tver State University
series Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
issn 2226-4442
2658-4360
publishDate 2015-11-01
description A study of the processes occurring during the formation of the energy equilibrium oxygen octahedral clusters of lithium niobate crystal is carried out. It is shown that there is energetically favorable size of a cluster, and due to the loss of electrical neutrality cluster of stoichiometric composition cannot exist. The most favorable energy corresponds to the cluster with a ratio of Li/Nb≈0,945, , which is close to the ratio of lithium to niobium in congruent crystal.
topic lithium niobate
cluster
simulation
url http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%92%D0%BE%D1%81%D0%BA%D1%80%D0%B5%D1%81%D0%B5%D0%BD%D1%81%D0%BA%D0%B8%D0%B9%20%D0%92%D0%9C.pdf
work_keys_str_mv AT vmvoskresensky researchofclusterformationincrystalsoflithiumniobatebycomputermodelingmethod
AT orstarodub researchofclusterformationincrystalsoflithiumniobatebycomputermodelingmethod
AT nvsidorov researchofclusterformationincrystalsoflithiumniobatebycomputermodelingmethod
AT mnpalatnikov researchofclusterformationincrystalsoflithiumniobatebycomputermodelingmethod
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