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- W2019414423 abstract "The cubic–monoclinic structural phase transition of RbCN is investigated with the elastic dipole model. The calculation shows that the monoclinic structure of RbCN consists of two groups of dipoles of equal number but aligning in two different orientations, which are obtained from the strain of the unit cell in agreement with the experiments. A stable configuration of the two groups of dipoles is proposed. The alternate displacement of the cations calculated from this configuration agrees with the experiment in direction but is too large in magnitude due to the elastic continuum model used. The interaction between neighboring dipoles is the main part of the ordering energy in contrast to the ferroelastic case of KCN. In fact a new kind of ordering transition – antiferroelastic phase transition – is proposed for RbCN. La transition de phase structurelle cubique-monoclinique de RbCN est recherchée avec le modèle du dipole élastique. Le calcul montre que la structure monoclinique de RbCN se compose de deux groupes de dipoles en nombre égal, mais alignés dans deux directions différentes lesquels sont obtenus à partir de la contrainte de la cellule unité en accord avec l'expèrience. Une configuration stable de deux groupes de dipoles est proposée. Le déplacement alternatif de cations calculé à partir de cette configuration est en accord avec l'expèrience en direction, mais est trop grand en amplitude à cause de l'utilisation de modèle du continuum élastique. L'interaction entre dipoles voisins est la part principale de l'énergie de réarrangement en contraste avec le cas ferroélastique de KCN. Une nouvelle sorte de transition de réarrangement – transition de phase anti-ferroélastique – est proposée pour RbCN." @default.
- W2019414423 created "2016-06-24" @default.
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- W2019414423 date "1989-07-01" @default.
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- W2019414423 title "Theoretical Investigation of Ferroelastic Phase Transition of Pure and Mixed Alkali Cyanide Systems by the Elastic Dipole Model. II. The Cubic–Monoclinic Phase Transition of Pure Rubidium Cyanide" @default.
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- W2019414423 doi "https://doi.org/10.1002/pssb.2221540116" @default.
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