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20 April 2024
 
  » arxiv » 1102.1001

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Unusual ground state structure of KNbO$_3$/KTaO$_3$ superlattices: Array of nearly independent ferroelectrically ordered planes
Alexander I. Lebedev ;
Date 4 Feb 2011
AbstractPhonon 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 = {}$1--7) within the density-functional theory. Two-dimensional ferroelectric state with the polarization localized in the KNbO$_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 $n$.
Source arXiv, 1102.1001
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