COMPUTER MODELLING OF ORDERING OF STRUCTURAL UNITS AND CLUSTERS IN LITHIUM NIOBATE CRYSTALS.

Modeling of the processes occurring at formation energetically equilibrium oxygen-octahedral clusters in the ferroelectric phase of stoichiometrical of lithium niobate crystal (LiNbO3) is executed at qualitative level. It is shown that on energy it appears the most favourable cluster with parity Li/...

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Bibliographic Details
Main Authors: O.R. Starodub, V.M. Voskresensky, N.V. Sidorov, M.N. Palatnikov, V.T. Kalinnikov
Format: Article
Language:Russian
Published: Tver State University 2011-12-01
Series:Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
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Online Access:http://physchemaspects.ru/archives/2011/%D0%A4%D0%A5-2011%20%D0%A1%D1%82%D0%B0%D1%80%D0%BE%D0%B4%D1%83%D0%B1%20%D0%9E%D0%A0.pdf