Electronic properties of ferroelectric SrBi[sub 2]Ta[sub 2]O[sub 9], SrBi[sub 2]Nb[sub 2]O[sub 9], and PbBi[sub 2]Nb[sub 2]O[sub 9] with optimized structures

Miura, K.
April 2002
Applied Physics Letters;4/22/2002, Vol. 80 Issue 16, p2967
Academic Journal
Electronic properties of ferroelectric SrBi[sub 2]Ta[sub 2]O[sub 9] (SBT) SrBi[sub 2]Nb[sub 2]O[sub 9] (SBN) and PbBi[sub 2]Nb[sub 2]O[sub 9] (PBN) have been investigated using a first-principles calculational method with optimized structures. In optimized SBT, the displacement of Ta in TaO[sub 6] octahedra is small, while the displacement of Nb in NbO[sub 6] octahedra is larger in optimized SBN. In optimized PBN, on the other hand, due to the hybridization between Pb 6s and O 2p, the displacement of NbO[sub 6] octahedra is larger than that in SBN. © 2002 American Institute of Physics.


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