Phonon mechanism for the negative thermal expansion of zirconium tungstate, ZrW<sub>2</sub>O<sub>8</sub>-Reference-Cited by-同舟云学术

Phonon mechanism for the negative thermal expansion of zirconium tungstate, ZrW₂O₈

Published:2023 Issue:25 Volume:25 Page:16753-16762
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rimmer Leila H. N.¹,Refson Keith²^ORCID,Dove Martin T.³¹⁴^ORCID

Affiliation:

1. School of Physical and Chemical Sciences, Queen Mary University of London, Mile End Road, London, E1 4NS, UK

2. ISIS Facility, Harwell Campus, Chilton, Didcot, OX11 0QX, UK

3. College of Computer Science, Sichuan University, Chengdu, Sichuan 610065, China

4. School of Mechanical Engineering, Dongguan University of Technology, 1st Daxue Road, Songshan Lake, Dongguan, Guangdong 523000, China

Abstract

ZrW2O8 is a famous material showing negative thermal expansion (NTE). Phonon calculations matched to flexibility models show that the NTE arises from many phonons rather than a single mechanism, with flexibility from bending of the ZrO6 octahedra.

Funder

Engineering and Physical Sciences Research Council

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01606D

Reference66 articles.

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4. Linear Thermal Expansion of Three Tungstates

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