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Ferroelectrics Volume 206, 1998 - Issue 1
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Original Articles

Theoretical examination of stress fields in Pb(Zr0.5Ti0.5)O3

Nicholas J. Ramer Department of Chemistry, University of Pennsylvania, Philadelphia, PA, 19104
,
E. J. Mele Department of Physics, University of Pennsylvania, Philadelphia, PA, 19104; Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, PA, 19104
&
Andrew M. Rappe Department of Chemistry, University of Pennsylvania, Philadelphia, PA, 19104; Department of Physics, University of Pennsylvania, Philadelphia, PA, 19104
Pages 31-46 | Received 12 Apr 1997, Published online: 07 Mar 2011

Citations (15)

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Read on this site (1)

Vladimir G. Tsirelson, Adam I. Stash & Ilya V. Tokatly. (2016) Bonding in molecular crystals from the local electronic pressure viewpoint. Molecular Physics 114:7-8, pages 1260-1269.
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Articles from other publishers (14)

Namrata Jaykhedkar, Vaishali Shah & S. Premkumar. First-principles study of polarization and piezoelectric properties of PbZrO3. First-principles study of polarization and piezoelectric properties of PbZrO3.
D. Schneider, Wook Jo, J. Rödel, D. Rytz & T. Granzow. (2014) Anisotropy of ferroelectric behavior of (1 − x)Bi 1/2 Na 1/2 TiO 3 –xBaTiO 3 single crystals across the morphotropic phase boundary . Journal of Applied Physics 116:4, pages 044111.
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Daniel C. Fredrickson. (2012) DFT-Chemical Pressure Analysis: Visualizing the Role of Atomic Size in Shaping the Structures of Inorganic Materials. Journal of the American Chemical Society 134:13, pages 5991-5999.
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R. Maranganti & P. Sharma. (2010) Revisiting quantum notions of stress. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 466:2119, pages 2097-2116.
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S. H. Shah, P. D. Bristowe, A. M. Kolpak & A. M. Rappe. (2008) First principles study of three-component SrTiO3/BaTiO3/PbTiO3 ferroelectric superlattices. Journal of Materials Science 43:11, pages 3750-3760.
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R. MarangantiP. SharmaL. Wheeler. (2007) Quantum Notions of Stress. Journal of Aerospace Engineering 20:1, pages 22-37.
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M. D. Johannes & D. J. Singh. (2005) Crystal structure and electric field gradients of from density functional calculations . Physical Review B 71:21.
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Young-Han Shin, Valentino R. Cooper, Ilya Grinberg & Andrew M. Rappe. (2005) Development of a bond-valence molecular-dynamics model for complex oxides. Physical Review B 71:5.
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Ilya Grinberg & Andrew M. Rappe. (2004) Local structure and macroscopic properties in and solid solutions . Physical Review B 70:22.
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Ilya Grinberg, Valentino Cooper & Andrew Rappe. (2004) Oxide chemistry and local structure of PbZrxTi1-xO3 studied by density-functional theory supercell calculations. Physical Review B 69:14.
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Y. Yourdshahyan, I. Grinberg, Na Sai, V.R. Cooper, S.E. Mason, A.M. Rappe & R.P. Kauffman. (2003) Relating fundamental chemistry and smart materials with DFT calculations. Relating fundamental chemistry and smart materials with DFT calculations.
Karin M. Rabe. (2002) Think locally, act globally. Nature Materials 1:3, pages 147-148.
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Christopher L. Rogers & Andrew M. Rappe. (2002) Geometric formulation of quantum stress fields. Physical Review B 65:22.
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Marco Fornari & David J. Singh. (2001) Possible coexistence of rotational and ferroelectric lattice distortions in rhombohedral . Physical Review B 63:9.
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