Structural phase transitions in Ruddlesden-Popper phases of strontium titanate: {\em ab initio} and inhomogeneous Ginzburg-Landau approaches

Abstract

We present the first systematic {\em ab initio} study of anti-ferrodistortive (AFD) order in Ruddlesden-Popper (RP) phases of strontium titanate, Sr${}_{1+n}$Ti${}_n$O${}_{3n+1}$, as a function of both compressive epitaxial strain and phase number $n$. We find all RP phases to exhibit AFD order under a significant range of strains, recovering the bulk AFD order as $\sim 1/n^2$. A Ginzburg-Landau Hamiltonian generalized to include inter-octahedral interactions reproduces our {\em ab initio} results well, opening a pathway to understanding other nanostructured perovskite systems.

References in corpus (3)

• Mapping the Spatial Distribution of Charge Carriers in LaAlO3/SrTiO3 Heterostructures
• Predicting polarization enhancement in multicomponent ferroelectric superlattices
• Broadband Dielectric Spectroscopy of Ruddlesden-Popper Sr${}_{n+1}$Ti${}_n$O${}_{3n+1}$ ($n$ = 1, 2, 3) Thin Films

Cited by in corpus (1)

• Octahedral Rotation Induced, Antiferroelectric-like Double Hysteresis in Strained Perovskites