Chemical tuning of structure, magnetization, and conductivity in the self-doped double-perovskite (Sr2-xCax)FeMoO6 (0 ≤ x ≤ 2.0) System

T. S. Chan; R. S. Liu; G. Y. Guo; S. F. Hu; J. G. Lin; J. M. Chen; J. P. Attfield

doi:10.1021/cm020773h

Chemical tuning of structure, magnetization, and conductivity in the self-doped double-perovskite (Sr_2-xCa_x)FeMoO₆ (0 ≤ x ≤ 2.0) System

T. S. Chan, R. S. Liu^*, G. Y. Guo, S. F. Hu, J. G. Lin, J. M. Chen, J. P. Attfield

^*Corresponding author for this work

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

18 Citations (Scopus)

Abstract

The variations of crystal structure, magnetization, and conductivity resulting from the chemical pressure effects of substituting Sr²⁺ by the smaller Ca²⁺ in the double-perovskite (Sr_2-xCa_x)FeMoO₆ have been investigated. An increase in the Ca content leads to an increase in the Fe/Mo ordering in the materials, which raises the magnetic moments close to the theoretical value of 4, μ_B. An increase in conductivity with increasing Ca content is also found and is consistent with an increase in (Fe²⁺ + Mo⁶⁺)/(Fe³⁺ + Mo⁵⁺) band overlap rather than bandwidth changes. The changes observed by physical measurements are supported by the X-ray absorption near-edge structures of Fe and Mo and by band structure calculations.

Original language	English
Pages (from-to)	425-432
Number of pages	8
Journal	Chemistry of Materials
Volume	15
Issue number	2
DOIs	https://doi.org/10.1021/cm020773h
Publication status	Published - 2003 Jan
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Materials Chemistry

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10.1021/cm020773h

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title = "Chemical tuning of structure, magnetization, and conductivity in the self-doped double-perovskite (Sr2-xCax)FeMoO6 (0 ≤ x ≤ 2.0) System",

abstract = "The variations of crystal structure, magnetization, and conductivity resulting from the chemical pressure effects of substituting Sr2+ by the smaller Ca2+ in the double-perovskite (Sr2-xCax)FeMoO6 have been investigated. An increase in the Ca content leads to an increase in the Fe/Mo ordering in the materials, which raises the magnetic moments close to the theoretical value of 4, μB. An increase in conductivity with increasing Ca content is also found and is consistent with an increase in (Fe2+ + Mo6+)/(Fe3+ + Mo5+) band overlap rather than bandwidth changes. The changes observed by physical measurements are supported by the X-ray absorption near-edge structures of Fe and Mo and by band structure calculations.",

author = "Chan, {T. S.} and Liu, {R. S.} and Guo, {G. Y.} and Hu, {S. F.} and Lin, {J. G.} and Chen, {J. M.} and Attfield, {J. P.}",

year = "2003",

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AU - Chan, T. S.

AU - Liu, R. S.

AU - Guo, G. Y.

AU - Hu, S. F.

AU - Lin, J. G.

AU - Chen, J. M.

AU - Attfield, J. P.

PY - 2003/1

Y1 - 2003/1

N2 - The variations of crystal structure, magnetization, and conductivity resulting from the chemical pressure effects of substituting Sr2+ by the smaller Ca2+ in the double-perovskite (Sr2-xCax)FeMoO6 have been investigated. An increase in the Ca content leads to an increase in the Fe/Mo ordering in the materials, which raises the magnetic moments close to the theoretical value of 4, μB. An increase in conductivity with increasing Ca content is also found and is consistent with an increase in (Fe2+ + Mo6+)/(Fe3+ + Mo5+) band overlap rather than bandwidth changes. The changes observed by physical measurements are supported by the X-ray absorption near-edge structures of Fe and Mo and by band structure calculations.

AB - The variations of crystal structure, magnetization, and conductivity resulting from the chemical pressure effects of substituting Sr2+ by the smaller Ca2+ in the double-perovskite (Sr2-xCax)FeMoO6 have been investigated. An increase in the Ca content leads to an increase in the Fe/Mo ordering in the materials, which raises the magnetic moments close to the theoretical value of 4, μB. An increase in conductivity with increasing Ca content is also found and is consistent with an increase in (Fe2+ + Mo6+)/(Fe3+ + Mo5+) band overlap rather than bandwidth changes. The changes observed by physical measurements are supported by the X-ray absorption near-edge structures of Fe and Mo and by band structure calculations.

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Chemical tuning of structure, magnetization, and conductivity in the self-doped double-perovskite (Sr_2-xCa_x)FeMoO₆ (0 ≤ x ≤ 2.0) System

Abstract

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