Long-range coulomb interaction in ionic crystals

dc.contributor.author	Anikeenok O.
dc.date.accessioned	2018-09-18T20:16:01Z
dc.date.available	2018-09-18T20:16:01Z
dc.date.issued	2012
dc.identifier.issn	1063-7834
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/138132
dc.description.abstract	Expressions have been proposed for calculating the matrix elements of the Coulomb interaction of p and d electrons in a chosen ion of a crystal with an infinite crystal lattice. The matrix elements have been calculated at Gaussian-type orbitals. The Coulomb interaction energy per molecular unit of the α'-NaV 2O 5 crystal has been calculated in the ionic approximation for homogeneous and chain orderings. It has been shown that the more correct determination of the energetic favorability of one or other ordering requires calculation of the Coulomb interaction energy with an infinite crystal lattice of electrons that are at different orbitals of the ion under consideration. © 2012 Pleiades Publishing, Ltd.
dc.relation.ispartofseries	Physics of the Solid State
dc.title	Long-range coulomb interaction in ionic crystals
dc.type	Article
dc.relation.ispartofseries-issue	9
dc.relation.ispartofseries-volume	54
dc.collection	Публикации сотрудников КФУ
dc.relation.startpage	1847
dc.source.id	SCOPUS10637834-2012-54-9-SID84866109994

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Публикации сотрудников КФУ Scopus [24551]
Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.