Ground-state structure of KNbO3/KTaO3 superlattices: Array of nearly independent ferroelectrically ordered planesстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:Phonon spectra of the paraelectric phase, structure and distribution of
polarization in the polar ground state, and energies of ferroelectrically
and antiferroelectrically ordered phases were calculated for stress-free
(KNbO$_3$)$_1$(KTaO$_3$)$_n$ superlattices ($n = {}$1--7) from first
principles within the density-functional theory. Quasi-two-dimensional
ferroelectric state with the polarization localized in the KNbO$_3$ layer
was revealed to be the ground
state for the superlattices with $n \ge 2$. The interaction between these
polarized layers decreases exponentially with increasing the interlayer
distance, and the ground-state structure transforms to an array of nearly
independent ferroelectrically ordered planes at large $n$.