Frustration of tilts and A-site driven ferroelectricity in KNbO3-LiNbO3 alloys.
Phys Rev Lett
; 96(14): 147602, 2006 Apr 14.
Article
en En
| MEDLINE
| ID: mdl-16712120
Density functional calculations for K(0.5)Li(0.5)NbO(3) show strong A-site driven ferroelectricity, even though the average tolerance factor is significantly smaller than unity and there is no stereochemically active A-site ion. This is due to the frustration of tilt instabilities by A-site disorder. There are very large off centerings of the Li ions, which contribute strongly to the anisotropy between the tetragonal and rhombohedral ferroelectric states, yielding a tetragonal ground state even without strain coupling.
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MEDLINE
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En
Revista:
Phys Rev Lett
Año:
2006
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Article
País de afiliación:
Estados Unidos
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Estados Unidos