Negative thermal expansion in high pressure layered perovskite Ca2GeO4

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Title: Negative thermal expansion in high pressure layered perovskite Ca2GeO4
Authors: Mostofi, A
Ablitt, C
Bristowe, N
Senn, M
Saito, T
Shimakawa, Y
Chen, W-T
Item Type: Journal Article
Abstract: We report the high pressure synthesis of a layered perovskite Ca2GeO4 which is found to have the Ruddlesden–Popper structure with I41/acd symmetry. Consonant with our recent predictions [Ablitt et al., npj Comput. Mater., 2017, 3, 44], the phase displays pronounced uniaxial negative thermal expansion over a large temperature range. Negative thermal expansion that persists over a large temperature range is very unusual in the perovskite structure, and its occurrence in this instance can be understood to arise due to both soft lattice vibrations associated with a phase competition and the unusually compliant nature of this structure, which effectively couples thermal expansion in the layer plane to lattice contractions perpendicular to the layering direction via a “corkscrew” mechanism.
Issue Date: 11-Mar-2019
Date of Acceptance: 23-Jan-2019
ISSN: 1359-7345
Publisher: Royal Society of Chemistry
Start Page: 2984
End Page: 2987
Journal / Book Title: Chemical Communications
Volume: 55
Issue: 20
Copyright Statement: ©The Royal Society of Chemistry 2019. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (
Sponsor/Funder: Engineering and Physical Sciences Research Council
Funder's Grant Number: EP/L015579/1
Keywords: Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Organic Chemistry
03 Chemical Sciences
Publication Status: Published
Online Publication Date: 2019-02-20
Appears in Collections:Faculty of Engineering
Faculty of Natural Sciences

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