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Structure of CaMnO3 in the range 10 K <= T <= 550 K from neutron time-of-flight total scattering

Abstract:
The local and average structure of the Ca endmember of the La1 - x Cax MnO3 series has been investigated. Neutron powder diffraction-based high real-space resolution atomic pair distribution function (PDF) analysis, yielding the local atomic structure, and the corresponding Rietveld analysis yielding the average crystal structure show that the two structural scales are in accord in this material, and that the MnO6 octahedral units are regular for all temperatures studied. Quantitative values of structural parameters are reported for a wide temperature range, important for both experimental and theoretical considerations of hole and electron doped branches of the rich phase diagram of La1 - x Cax MnO3. © 2008 Elsevier Ltd. All rights reserved.
Publication status:
Published

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Publisher copy:
10.1016/j.jpcs.2008.03.029

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author


Host title:
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
Volume:
69
Issue:
9
Pages:
2146-2150
Publication date:
2008-09-01
DOI:
ISSN:
0022-3697


Keywords:
Pubs id:
pubs:115927
UUID:
uuid:ddb1bebf-7c05-48c0-98eb-74e2244f6313
Local pid:
pubs:115927
Source identifiers:
115927
Deposit date:
2012-12-19

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