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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Tver State University
2017-12-01
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| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
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| Online Access: | http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-140.pdf |
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doaj-40b84208c9664eeaa86cc8ffde5a2b912020-11-25T00:16:48ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602017-12-01914014610.26456/pcascnn/2017.9.140Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in compositionV.M. Voskresensky0O.R. Starodub1N.V. Sidorov2M.N. Palatnikov3I.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials KSC RASI.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials KSC RASI.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials KSC RASI.V. Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials KSC RASThe 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.http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-140.pdflithium niobatemodelingclustersvacancy modelsdefects of sublattice |
| 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 Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов lithium niobate modeling clusters vacancy models defects of sublattice |
| author_facet |
V.M. Voskresensky O.R. Starodub N.V. Sidorov M.N. Palatnikov |
| author_sort |
V.M. Voskresensky |
| title |
Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition |
| title_short |
Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition |
| title_full |
Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition |
| title_fullStr |
Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition |
| title_full_unstemmed |
Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition |
| title_sort |
computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition |
| publisher |
Tver State University |
| series |
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| issn |
2226-4442 2658-4360 |
| publishDate |
2017-12-01 |
| description |
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. |
| topic |
lithium niobate modeling clusters vacancy models defects of sublattice |
| url |
http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-140.pdf |
| work_keys_str_mv |
AT vmvoskresensky computersimulationofstructureanddimensionsofoxygenoctaadricclustersinlithiumniobatecrystalandthedynamicsoftheirdevelopmentwithchangesincomposition AT orstarodub computersimulationofstructureanddimensionsofoxygenoctaadricclustersinlithiumniobatecrystalandthedynamicsoftheirdevelopmentwithchangesincomposition AT nvsidorov computersimulationofstructureanddimensionsofoxygenoctaadricclustersinlithiumniobatecrystalandthedynamicsoftheirdevelopmentwithchangesincomposition AT mnpalatnikov computersimulationofstructureanddimensionsofoxygenoctaadricclustersinlithiumniobatecrystalandthedynamicsoftheirdevelopmentwithchangesincomposition |
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