Silver solid solution piezoelectrics

Ilya Grinberg; Andrew M. Rappe

doi:10.1063/1.1787946

Silver solid solution piezoelectrics

Ilya Grinberg, Andrew M. Rappe

University of Pennsylvania

Research output: Contribution to journal › Article › peer-review

53 Scopus citations

Abstract

The feasibility of using silver on the perovskite A-site in high-performance lead-free piezoelectrics was investigated using density functional theory calculations. A morphotropic phase boundary near (AgNbO ₃) _3/8 (PbTiO ₃) _5/8 was predicted for the AgNbO ₃-PbTiO ₃ solid solution. An unusual sequence of compositional phase transitions in AgNbO ₃-BaZrO ₃ and AgNbO ₃-BaTiO ₃ was observed which was due to the effects of volume expansion in perovskites. The results of the calculations show that silver atoms are ferroelectrically active and can off-center by 0.5 Å.

Original language	English
Pages (from-to)	1760-1762
Number of pages	3
Journal	Applied Physics Letters
Volume	85
Issue number	10
DOIs	https://doi.org/10.1063/1.1787946
State	Published - 6 Sep 2004
Externally published	Yes

Bibliographical note

Funding Information:
This work was supported by the Office of Naval Research, under grant No. N-000014-00-1-0372 and through the Center for Piezoelectrics by Design. The authors also acknowledge the support of the National Science Foundation, through the MRSEC program, Grant No. DMR00-79909. A.M. R. acknowledges the support of the Camille and Henry Dreyfus foundation. Computational support was provided by the Center for Piezoelectrics by Design, the DoD HPCMO, and DURIP. The authors also like to thank Peter K. Davies for stimulating discussion.

Funding

This work was supported by the Office of Naval Research, under grant No. N-000014-00-1-0372 and through the Center for Piezoelectrics by Design. The authors also acknowledge the support of the National Science Foundation, through the MRSEC program, Grant No. DMR00-79909. A.M. R. acknowledges the support of the Camille and Henry Dreyfus foundation. Computational support was provided by the Center for Piezoelectrics by Design, the DoD HPCMO, and DURIP. The authors also like to thank Peter K. Davies for stimulating discussion.

Funders	Funder number
National Science Foundation	DMR00-79909
U.S. Department of Defense
Office of Naval Research	N-000014-00-1-0372
Camille and Henry Dreyfus Foundation

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10.1063/1.1787946

Cite this

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abstract = "The feasibility of using silver on the perovskite A-site in high-performance lead-free piezoelectrics was investigated using density functional theory calculations. A morphotropic phase boundary near (AgNbO 3) 3/8 (PbTiO 3) 5/8 was predicted for the AgNbO 3-PbTiO 3 solid solution. An unusual sequence of compositional phase transitions in AgNbO 3-BaZrO 3 and AgNbO 3-BaTiO 3 was observed which was due to the effects of volume expansion in perovskites. The results of the calculations show that silver atoms are ferroelectrically active and can off-center by 0.5 {\AA}.",

author = "Ilya Grinberg and Rappe, {Andrew M.}",

note = "Funding Information: This work was supported by the Office of Naval Research, under grant No. N-000014-00-1-0372 and through the Center for Piezoelectrics by Design. The authors also acknowledge the support of the National Science Foundation, through the MRSEC program, Grant No. DMR00-79909. A.M. R. acknowledges the support of the Camille and Henry Dreyfus foundation. Computational support was provided by the Center for Piezoelectrics by Design, the DoD HPCMO, and DURIP. The authors also like to thank Peter K. Davies for stimulating discussion.",

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Silver solid solution piezoelectrics

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