The Structure and Optical Properties of Sr1-xCaxMoO3

Harriet A. Hopper; D. E. MacPhee; A. C. McLaughlin

doi:10.1016/j.jssc.2016.08.005

The Structure and Optical Properties of Sr1-xCaxMoO3

Harriet A. Hopper, D. E. MacPhee, A. C. McLaughlin

Chemistry

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Abstract

The solid solution Sr1-xCaxMoO3 (x = 0, 0.05, 0.1, 0.13, 0.15 & 0.17) has successfully been synthesised and X-ray Powder diffraction has revealed the occurrence of structural phase transitions, from cubic Pm-3m to tetragonal I4/mcm, and then to orthorhombic Imma as the value of x increased. Discontinuities were observed in the cell parameters and bond lengths and angles at the transition from tetragonal to orthorhombic symmetry as a result of the switching of the octahedral rotation axis at the tetragonal to orthorhombic transition. The increased octahedral tilting could also be linked to the decrease in the band gap from 2.20 eV to 2.10 eV as x increased from 0 – 0.17.

Original language	English
Pages (from-to)	248-252
Number of pages	5
Journal	Journal of Solid State Chemistry
Volume	242
Issue number	1
Early online date	3 Aug 2016
DOIs	https://doi.org/10.1016/j.jssc.2016.08.005
Publication status	Published - Oct 2016

Bibliographical note

We acknowledge the University of Aberdeen for provision of a studentship for Harriet Hopper.

Keywords

perovskite
octahedral tilting
phase transition
discontinuity
optical properties

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Accepted author manuscript, 1.02 MBLicence: CC BY-NC-ND

Cite this

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title = "The Structure and Optical Properties of Sr1-xCaxMoO3",

abstract = "The solid solution Sr1-xCaxMoO3 (x = 0, 0.05, 0.1, 0.13, 0.15 & 0.17) has successfully been synthesised and X-ray Powder diffraction has revealed the occurrence of structural phase transitions, from cubic Pm-3m to tetragonal I4/mcm, and then to orthorhombic Imma as the value of x increased. Discontinuities were observed in the cell parameters and bond lengths and angles at the transition from tetragonal to orthorhombic symmetry as a result of the switching of the octahedral rotation axis at the tetragonal to orthorhombic transition. The increased octahedral tilting could also be linked to the decrease in the band gap from 2.20 eV to 2.10 eV as x increased from 0 – 0.17.",

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author = "Hopper, {Harriet A.} and MacPhee, {D. E.} and McLaughlin, {A. C.}",

note = "We acknowledge the University of Aberdeen for provision of a studentship for Harriet Hopper.",

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T1 - The Structure and Optical Properties of Sr1-xCaxMoO3

AU - Hopper, Harriet A.

AU - MacPhee, D. E.

AU - McLaughlin, A. C.

N1 - We acknowledge the University of Aberdeen for provision of a studentship for Harriet Hopper.

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AB - The solid solution Sr1-xCaxMoO3 (x = 0, 0.05, 0.1, 0.13, 0.15 & 0.17) has successfully been synthesised and X-ray Powder diffraction has revealed the occurrence of structural phase transitions, from cubic Pm-3m to tetragonal I4/mcm, and then to orthorhombic Imma as the value of x increased. Discontinuities were observed in the cell parameters and bond lengths and angles at the transition from tetragonal to orthorhombic symmetry as a result of the switching of the octahedral rotation axis at the tetragonal to orthorhombic transition. The increased octahedral tilting could also be linked to the decrease in the band gap from 2.20 eV to 2.10 eV as x increased from 0 – 0.17.

KW - perovskite

KW - octahedral tilting

KW - phase transition

KW - discontinuity

KW - optical properties

U2 - 10.1016/j.jssc.2016.08.005

DO - 10.1016/j.jssc.2016.08.005

M3 - Article

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JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 1

ER -

The Structure and Optical Properties of Sr1-xCaxMoO3

Abstract

Bibliographical note

Keywords

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