A lead-free high-Tc ferroelectric BaTi2O5: A first-principles study

Umesh Waghmare; Marcel H.F. Sluiter; Teiichi Kimura; Takashi Goto; Yoshiyuki Kawazoe

doi:10.1063/1.1757021

A lead-free high-T_c ferroelectric BaTi₂O₅: A first-principles study

Umesh Waghmare, Marcel H.F. Sluiter, Teiichi Kimura, Takashi Goto, Yoshiyuki Kawazoe

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

60 Citations (Scopus)

Abstract

Ferroelectricity in BaTi₂O₅ was analyzed using first-principles calculations. The polarization of BaTi₂O₅ was found to be smaller than the perovskite ferroelectrics and its Curie temperature was higher and comparable to that of PbTiO₃. The calculated piezoelectric constant was 2.02 C/m². The results show that the properties of BaTi₂O₅ can be improved and it appeared a promising material for future lead-free high-temperature ferroelectrics.

Original language	English
Pages (from-to)	4917-4919
Number of pages	3
Journal	Applied Physics Letters
Volume	84
Issue number	24
DOIs	https://doi.org/10.1063/1.1757021
Publication status	Published - 2004 Jun 14

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.1757021

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abstract = "Ferroelectricity in BaTi2O5 was analyzed using first-principles calculations. The polarization of BaTi2O5 was found to be smaller than the perovskite ferroelectrics and its Curie temperature was higher and comparable to that of PbTiO3. The calculated piezoelectric constant was 2.02 C/m2. The results show that the properties of BaTi2O5 can be improved and it appeared a promising material for future lead-free high-temperature ferroelectrics.",

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T2 - A first-principles study

AU - Waghmare, Umesh

AU - Sluiter, Marcel H.F.

AU - Kimura, Teiichi

AU - Goto, Takashi

AU - Kawazoe, Yoshiyuki

PY - 2004/6/14

Y1 - 2004/6/14

N2 - Ferroelectricity in BaTi2O5 was analyzed using first-principles calculations. The polarization of BaTi2O5 was found to be smaller than the perovskite ferroelectrics and its Curie temperature was higher and comparable to that of PbTiO3. The calculated piezoelectric constant was 2.02 C/m2. The results show that the properties of BaTi2O5 can be improved and it appeared a promising material for future lead-free high-temperature ferroelectrics.

AB - Ferroelectricity in BaTi2O5 was analyzed using first-principles calculations. The polarization of BaTi2O5 was found to be smaller than the perovskite ferroelectrics and its Curie temperature was higher and comparable to that of PbTiO3. The calculated piezoelectric constant was 2.02 C/m2. The results show that the properties of BaTi2O5 can be improved and it appeared a promising material for future lead-free high-temperature ferroelectrics.

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A lead-free high-T_c ferroelectric BaTi₂O₅: A first-principles study

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