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Автор György Szabó
Автор László Udvardi
Дата выпуска 1998-05-18
dc.description A Coulomb lattice-gas model with a host-lattice screening mechanism is adapted to describe the ordering phenomena in alkali-metal fullerides of body-centred-cubic structure. It is assumed that the electric charge of an alkali ion residing at a tetrahedral interstitial site is completely screened by its first-neighbour molecules. The electronic energy of the ion is also taken into consideration as a charged spherical shell. By means of these assumptions an effective (short-range) pair interaction between two alkali ions is obtained. The resultant lattice-gas model is analysed by using two- and six-sublattice mean-field approximations. The thermodynamic properties are summarized in phase diagrams for different shell radii.
Формат application.pdf
Издатель Institute of Physics Publishing
Название A lattice-gas model for alkali-metal fullerides: body-centred-cubic structure
Тип paper
DOI 10.1088/0953-8984/10/19/009
Electronic ISSN 1361-648X
Print ISSN 0953-8984
Журнал Journal of Physics: Condensed Matter
Том 10
Первая страница 4211
Последняя страница 4219
Выпуск 19

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