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Structural phase transitions in Ruddlesden-Popper phases of strontium titanate: Ab initio and modulated Ginzburg-Landau approaches

Cornell Affiliated Author(s)

Author

J. Lee
Tomas Arias

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

Group (Lab)

Tomas Arias Group

Funding Source

0520404

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