Crystal structure and microwave dielectric properties of alkaline-earth hafnates, AHfO3(A=Ba, Sr, Ca)

Antonio Feteira, Derek C. Sinclair, Khalid Z. Rajab, Michael T. Lanagan

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Abstract

The crystal structure and microwave (MW) dielectric properties of AHfO3(A=Ba, Sr, and Ca) ceramics prepared by the solid-state route have been investigated. X-ray and electron diffraction show BaHfO3to be an untilted cubic perovskite (a0a0a0, space group), whereas SrHfO3and CaHfO3are both orthorhombically distorted perovskites (a-b+a-, space group Pnma). AHfO3ceramics with a relative density ∼90% of the theoretical X-ray density and microstructures consisting of randomly oriented equiaxed grains were prepared by firing at 1750°C for 6 h. Conventional transmission electron microscopy reveals the occurrence of long parallel ferroelastic domains in the subgrain microstructure of CaHfO3and SrHfO3. At room temperature and MW frequencies, AHfO3ceramics, where A=Ba, Sr, and Ca, have εr∼ 24.2, Q × fr∼14 250 GHz (at 8.9 GHz) and τf∼+111 ppm/K; εr∼23.5, Q × fr∼33 534 GHz (at 9.3 GHz), and τf∼-63 ppm/K; and εr∼21.4, Q × fr∼15 950 GHz (at 8.9 GHz), and τf∼-33 ppm/K, respectively. The ion polarizability for Hf4+in a cubic perovskite environment is calculated to be 3.32 Å3, whereas in a noncubic environment it increases to 4.36-4.47 Å3. Finally, the dielectric properties of AHfO3(A=Ba, Sr, and Ca) are compared with their titanate and zirconate counterparts.

Original languageEnglish (US)
Pages (from-to)893-901
Number of pages9
JournalJournal of the American Ceramic Society
Volume91
Issue number3
DOIs
StatePublished - Mar 1 2008

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Dielectric properties
Perovskite
Crystal structure
Earth (planet)
Microwaves
Microstructure
Microwave frequencies
Electron diffraction
Ions
Transmission electron microscopy
X ray diffraction
X rays
Temperature
perovskite

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

Cite this

@article{7f160b7273cb4ef9bb9097d95049d91d,
title = "Crystal structure and microwave dielectric properties of alkaline-earth hafnates, AHfO3(A=Ba, Sr, Ca)",
abstract = "The crystal structure and microwave (MW) dielectric properties of AHfO3(A=Ba, Sr, and Ca) ceramics prepared by the solid-state route have been investigated. X-ray and electron diffraction show BaHfO3to be an untilted cubic perovskite (a0a0a0, space group), whereas SrHfO3and CaHfO3are both orthorhombically distorted perovskites (a-b+a-, space group Pnma). AHfO3ceramics with a relative density ∼90{\%} of the theoretical X-ray density and microstructures consisting of randomly oriented equiaxed grains were prepared by firing at 1750°C for 6 h. Conventional transmission electron microscopy reveals the occurrence of long parallel ferroelastic domains in the subgrain microstructure of CaHfO3and SrHfO3. At room temperature and MW frequencies, AHfO3ceramics, where A=Ba, Sr, and Ca, have εr∼ 24.2, Q × fr∼14 250 GHz (at 8.9 GHz) and τf∼+111 ppm/K; εr∼23.5, Q × fr∼33 534 GHz (at 9.3 GHz), and τf∼-63 ppm/K; and εr∼21.4, Q × fr∼15 950 GHz (at 8.9 GHz), and τf∼-33 ppm/K, respectively. The ion polarizability for Hf4+in a cubic perovskite environment is calculated to be 3.32 {\AA}3, whereas in a noncubic environment it increases to 4.36-4.47 {\AA}3. Finally, the dielectric properties of AHfO3(A=Ba, Sr, and Ca) are compared with their titanate and zirconate counterparts.",
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Crystal structure and microwave dielectric properties of alkaline-earth hafnates, AHfO3(A=Ba, Sr, Ca). / Feteira, Antonio; Sinclair, Derek C.; Rajab, Khalid Z.; Lanagan, Michael T.

In: Journal of the American Ceramic Society, Vol. 91, No. 3, 01.03.2008, p. 893-901.

Research output: Contribution to journalArticle

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T1 - Crystal structure and microwave dielectric properties of alkaline-earth hafnates, AHfO3(A=Ba, Sr, Ca)

AU - Feteira, Antonio

AU - Sinclair, Derek C.

AU - Rajab, Khalid Z.

AU - Lanagan, Michael T.

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N2 - The crystal structure and microwave (MW) dielectric properties of AHfO3(A=Ba, Sr, and Ca) ceramics prepared by the solid-state route have been investigated. X-ray and electron diffraction show BaHfO3to be an untilted cubic perovskite (a0a0a0, space group), whereas SrHfO3and CaHfO3are both orthorhombically distorted perovskites (a-b+a-, space group Pnma). AHfO3ceramics with a relative density ∼90% of the theoretical X-ray density and microstructures consisting of randomly oriented equiaxed grains were prepared by firing at 1750°C for 6 h. Conventional transmission electron microscopy reveals the occurrence of long parallel ferroelastic domains in the subgrain microstructure of CaHfO3and SrHfO3. At room temperature and MW frequencies, AHfO3ceramics, where A=Ba, Sr, and Ca, have εr∼ 24.2, Q × fr∼14 250 GHz (at 8.9 GHz) and τf∼+111 ppm/K; εr∼23.5, Q × fr∼33 534 GHz (at 9.3 GHz), and τf∼-63 ppm/K; and εr∼21.4, Q × fr∼15 950 GHz (at 8.9 GHz), and τf∼-33 ppm/K, respectively. The ion polarizability for Hf4+in a cubic perovskite environment is calculated to be 3.32 Å3, whereas in a noncubic environment it increases to 4.36-4.47 Å3. Finally, the dielectric properties of AHfO3(A=Ba, Sr, and Ca) are compared with their titanate and zirconate counterparts.

AB - The crystal structure and microwave (MW) dielectric properties of AHfO3(A=Ba, Sr, and Ca) ceramics prepared by the solid-state route have been investigated. X-ray and electron diffraction show BaHfO3to be an untilted cubic perovskite (a0a0a0, space group), whereas SrHfO3and CaHfO3are both orthorhombically distorted perovskites (a-b+a-, space group Pnma). AHfO3ceramics with a relative density ∼90% of the theoretical X-ray density and microstructures consisting of randomly oriented equiaxed grains were prepared by firing at 1750°C for 6 h. Conventional transmission electron microscopy reveals the occurrence of long parallel ferroelastic domains in the subgrain microstructure of CaHfO3and SrHfO3. At room temperature and MW frequencies, AHfO3ceramics, where A=Ba, Sr, and Ca, have εr∼ 24.2, Q × fr∼14 250 GHz (at 8.9 GHz) and τf∼+111 ppm/K; εr∼23.5, Q × fr∼33 534 GHz (at 9.3 GHz), and τf∼-63 ppm/K; and εr∼21.4, Q × fr∼15 950 GHz (at 8.9 GHz), and τf∼-33 ppm/K, respectively. The ion polarizability for Hf4+in a cubic perovskite environment is calculated to be 3.32 Å3, whereas in a noncubic environment it increases to 4.36-4.47 Å3. Finally, the dielectric properties of AHfO3(A=Ba, Sr, and Ca) are compared with their titanate and zirconate counterparts.

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