Phase transitions and domain structures in strained pseudocubic (100) SrTiO₃ thin films

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Y. L. Li,^1,2 S. Choudhury,¹ J. H. Haeni,¹ M. D. Biegalski,¹ A. Vasudevarao,¹ A. Sharan,¹ H. Z. Ma,³ J. Levy,³ Venkatraman Gopalan,¹ S. Trolier-McKinstry,¹ D. G. Schlom,¹ Q. X. Jia,² and L. Q. Chen¹
¹Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
²MST-STC, MS K763, Los Alamos National Lab, Los Alamos, New Mexico 87545, USA
³Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA

Received 4 January 2006; published 12 May 2006

Themutual interactions between a structural transition and a ferroelectric transitionare analyzed for different strain states in a pseudocubic (100)SrTiO₃ film by examining the equilibrium solutions of the totalfree energy as a function of polarization, strain and structuralorder parameter. The range of possible ferroelectric transition temperatures andthe possible ferroelectric states of a strained SrTiO₃ film aredetermined with respect to the variation in the reported propertiesof bulk SrTiO₃ single crystals. The ferroelectric and structural domainmorphologies at a biaxial tensile strain e₀=0.94% were predicted usingphase-field simulations. It is shown that variations in the reportedvalues of bulk properties and in the Landau energy coefficientsfrom different literature sources lead not only to a widerange of possible transition temperatures at a given strain, butalso to different ferroelectric states (e.g., polarization along the pseudocubic110 vs 100 directions) thus different domain structures under abiaxial tensile strain. Both optical second harmonic generation and confocalscanning optical microscopy measurements demonstrate that the domain states inSrTiO₃ films strained at e₀=0.94% and 1.16% exhibit polar directionsalong the pseudocubic 110 directions within the pseudocubic (001) planeof the film.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.73.184112
DOI:	10.1103/PhysRevB.73.184112
PACS:	77.80.Bh; 77.55.+f; 77.80.Dj; 42.65.Ky 77.80.Bh Ferroelectric phase transitions and Curie point 77.55.+f Dielectric thin films 77.80.Dj Ferroelectric domain structure; hysteresis 42.65.Ky Optical frequency conversion; optical harmonic generation, including higher-order harmonic generation YEAR: 2006
KEYWORDS:	strontium compounds, ferroelectric thin films, ferroelectric transitions, electric domains, internal stresses, free energy, dielectric polarisation, crystal morphology, Landau levels, optical harmonic generation, optical microscopy

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