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Finite-Electric Field Study of Pressure Effects on Polarization Rotation in PbTiO3

Published online by Cambridge University Press:  31 January 2011

Panchapakesan Ganesh  and
Ronald Cohen
Panchapakesan Ganesh
Affiliation:
pganesh@ciw.edu, Carnegie Institution of Washington, Geophysical Lab., Washington, District of Columbia, United States
Ronald Cohen
Affiliation:
rcohen@ciw.edu
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Abstract

We perform first-principles finite-electric field simulations of PbTiO3 both at zero and high pressures to investigate the effect of pressure on polarization rotation. We find that whereas a large electric field is required at zero pressure to induce a phase transition from the tetragonal (P4mm) phase to the rhombohedral (R3m) phase, at 8GPa a relatively small electric field is required indicating the greater ease of polarization rotation at high pressure. Pressure reduces the relative well depth between the two phases leading to a softer free-energy surface. This explains the increased electro-mechanical coupling obtained in PbTiO3 with pressure.

Keywords

ferroelectricpiezoelectricferroelectricity

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1199: Symposium F –Multiferroic and Ferroelectric Materials , 2009 , 1199-F11-06
Copyright
Copyright © Materials Research Society 2010

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References

[1] Park S, E and Shrout, T E 1997 J. Appl. Phys. 82 1804 Google Scholar
[2] Fu, H and Cohen, R E 2000 Nature (London) 403 281 Google Scholar
[3] Noheda, B et. al. 1999 Appl. Phys. Lett. 74 2059 Google Scholar
[4] Guo, R et. al. 2000 Phys. Rev. Lett. 84 5423 Google Scholar
[5] Noheda, B et. al. 2001 Phys. Rev. Lett. 86 3891 Google Scholar
[6] Slater, J C 1950 Phys. Rev. 78 748 Google Scholar
[7] Cohen, R E 1992 Nature (London) 358 136 Google Scholar
[8] Ph, Ghosez. et. al. 1999 Phys. Rev. B 60 836 Google Scholar
[10] Wu, Z and Cohen, R E 2005 Phys. Rev. Lett. 95 037601 Google Scholar
[11] Ganesh, P and Cohen, R E 2009 J. Phys.: Condens. Matter 21 064225 Google Scholar
[12] Ahart, M et. al 2008 Nature 451 545Google Scholar
[13] Vanderbilt, D and Cohen, M H 2001 Phys. Rev. B 63 094108 Google Scholar
[14] Sergienko I, A, Gufan, Y M and Urazhdin, S 2002 Phys. Rev. B 65 144104 Google Scholar
[15] Bellaiche, L, Garcia, A and Vanderbilt, D 200 Phys. Rev. Lett. 84 5427 Google Scholar
[16] Wu, Z and Krakauer, H 2003 Phys. Rev. B 68 014112 Google Scholar
[17] Rouquette, J et. al. 2004 Phys. Rev. B 70 014108 Google Scholar
[18] Rouquette, J et. al. 2005 Phys. Rev. B 71 024112 Google Scholar
[19] Catalan, G et. al. 2006 Phys. Rev. Lett. 96 127602 Google Scholar
[20] Gonze, X et.al. 2002 Computer. Mater. Sci. 25 478 Google Scholar
[21] Souza, I et.al. 2002 Phys. Rev. Lett. 89 117602 Google Scholar
[22] Sai, N et.al. 2002 Phys. Rev. B 66 104108 Google Scholar
[23] Rappe, A M et. al. 1990 Phys. Rev. B 41 1227 Google Scholar