Structural phase transitions in Ruddlesden-Popper phases of strontium titanate: Ab initio and modulated Ginzburg-Landau approaches
Abstract
We present a systematic ab initio study of antiferrodistortive (AFD) order in Ruddlesden-Popper (RP) phases of strontium titanate, Sr1+n Ti n O3n+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 AFD order of bulk SrTiO3 as ∼1/n2. A Ginzburg-Landau Hamiltonian including interoctahedral interactions reproduces our ab initio results well, opening a pathway to understanding other nanostructured perovskite systems. © 2010 The American Physical Society.
Date Published
Journal
Physical Review B - Condensed Matter and Materials Physics
Volume
82
Issue
18
URL
https://www.scopus.com/inward/record.uri?eid=2-s2.0-78649718617&doi=10.1103%2fPhysRevB.82.180104&partnerID=40&md5=03d141405f70fbc383c3ad88d898ec9a
DOI
10.1103/PhysRevB.82.180104
Research Area
Group (Lab)
Tomas Arias Group
Funding Source
0520404