Octahedral tilting induced ferroelectricity in the ASnO${}_3$/BSnO${}_3$ superlattice

Abstract

The effect of the octahedral tilting of ASnO3 (A = Ca, Sr, Ba) parent compound and bi-color ASnO3/BSnO3 superlattice (A, B = Ca, Sr, Ba) was predicted from density-functional theory. In the ASnO3 parent compound, the structural phase transition as a function of the A-site cation size was correlated with the magnitude of the two octahedral tilting modes (a-a-c0 tilting and a0a0c+ tilting). The magnitude of the octahedral tilting modes in the superlattices was analyzed quantitatively and found to be associated with that of the constituent parent materials. The ASnO3/BSnO3 superlattices showed hybrid improper ferroelectricity resulting from the coupling of two octahedral tilting modes (a-a-c0 tilting and a0a0c+ tilting), which are also responsible for the structural phase transition from a tetragonal to orthorhombic phase. The ferroelectricity due to A-site mirror symmetry breaking is a secondary order parameter for an orthorhombic phase transition in the bi-color superlattice and is related to the Γ5- symmetry mode. The coupling between the tilting modes and ferroelectric mode in the bi-color superlattice of ASnO3/BSnO3 was analyzed by group theory and symmetry mode analysis.

revised polarization calculation using berry phase

References in corpus (4)

• High Mobility in a Stable Transparent Perovskite Oxide
• Hybrid improper ferroelectricity in a Multiferroic and Magnetoelectric hybrid organic-inorganic perosvkite
• Physical properties of transparent perovskite oxides (Ba,La)SnO3 with high electrical mobility at room temperature
• Origin of the Superior Conductivity of Perovskite Ba(Sr)SnO3

Cited by in corpus (5)

• First-principle study of octahedral tilting and Ferroelectric like transition in metallic LiOsO3
• Octahedral tilting and ferroelectricity in RbANb2O7 (A = Bi, Nd) from first principles
• $\sqrt{2}$$\times$$\sqrt{2}R45^{\circ }$ surface reconstruction and electronic structure of BaSnO${}_3$ film
• Noncentrosymmetric structural transitions in ultrashort ferroelectric AGaO${}_3$/A'GaO${}_3$ superlattices
• Role of octahedral tilting induced acoustic softening on limiting thermal transport in SrSnO3