Interface-induced enhancement of piezoelectricity in the (SrTiO 3 ) m /(BaTiO 3 ) M−m superlattice for energy harvesting applications

We present the results of a detailed first principles study of the piezoelectric properties of the (SrTiO 3 ) m /(BaTiO 3 ) M−m heterostructure using the 3D STO m /BTO M−m superlattice model. The atomic basis set, hybrid functionals and slabs with different numbers of STO and BTO layers were used. T...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2019, Vol.21 (42), p.23541-23551
Hauptverfasser:	Zvejnieks, Guntars, Rusevich, Leonid L., Gryaznov, Denis, Kotomin, Eugene A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Barium titanates Computer simulation Displacement Energy harvesting Ferroelectric materials Ferroelectricity First principles Heterostructures Phase transitions Piezoelectricity Strontium titanates Superlattices Three dimensional models
Online-Zugang:	Volltext
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