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Title: Pronounced negative thermal expansion from a simple structure : Cubic ScF{sub 3}.

Abstract

Scandium trifluoride maintains a cubic ReO{sub 3} type structure down to at least 10 K, although the pressure at which its cubic to rhombohedral phase transition occurs drops from >0.5 GPa at {approx}300 K to 0.1-0.2 GPa at 50 K. At low temperatures it shows strong negative thermal expansion (NTE) (60-110 K, {alpha}{sub l} {approx} -14 ppm K{sup -1}). On heating, its coefficient of thermal expansion (CTE) smoothly increases, leading to a room temperature CTE that is similar to that of ZrW{sub 2}O{sub 8} and positive thermal expansion above {approx}1100 K. While the cubic ReO{sub 3} structure type is often used as a simple illustration of how negative thermal expansion can arise from the thermally induced rocking of rigid structural units, ScF{sub 3} is the first material with this structure to provide a clear experimental illustration of this mechanism for NTE.

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1001168
Report Number(s):
ANL/XSD/JA-68385
Journal ID: 0002-7863; TRN: US201101%%777
DOE Contract Number:  
DE-AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
J. Am. Chem. Soc.
Additional Journal Information:
Journal Volume: 132; Journal Issue: Oct. 19, 2010
Country of Publication:
United States
Language:
ENGLISH
Subject:
36 MATERIALS SCIENCE; SCANDIUM FLUORIDES; THERMAL EXPANSION; CUBIC LATTICES; CRYSTAL-PHASE TRANSFORMATIONS

Citation Formats

Greve, B K, Martin, K L, Lee, P L, Chupas, P J, Chapman, K W, Wilkinson, A P, X-Ray Science Division, and Georgia Inst. of Tech. Pronounced negative thermal expansion from a simple structure : Cubic ScF{sub 3}.. United States: N. p., 2010. Web. doi:10.1021/ja106711v.
Greve, B K, Martin, K L, Lee, P L, Chupas, P J, Chapman, K W, Wilkinson, A P, X-Ray Science Division, & Georgia Inst. of Tech. Pronounced negative thermal expansion from a simple structure : Cubic ScF{sub 3}.. United States. doi:10.1021/ja106711v.
Greve, B K, Martin, K L, Lee, P L, Chupas, P J, Chapman, K W, Wilkinson, A P, X-Ray Science Division, and Georgia Inst. of Tech. Tue . "Pronounced negative thermal expansion from a simple structure : Cubic ScF{sub 3}.". United States. doi:10.1021/ja106711v.
@article{osti_1001168,
title = {Pronounced negative thermal expansion from a simple structure : Cubic ScF{sub 3}.},
author = {Greve, B K and Martin, K L and Lee, P L and Chupas, P J and Chapman, K W and Wilkinson, A P and X-Ray Science Division and Georgia Inst. of Tech.},
abstractNote = {Scandium trifluoride maintains a cubic ReO{sub 3} type structure down to at least 10 K, although the pressure at which its cubic to rhombohedral phase transition occurs drops from >0.5 GPa at {approx}300 K to 0.1-0.2 GPa at 50 K. At low temperatures it shows strong negative thermal expansion (NTE) (60-110 K, {alpha}{sub l} {approx} -14 ppm K{sup -1}). On heating, its coefficient of thermal expansion (CTE) smoothly increases, leading to a room temperature CTE that is similar to that of ZrW{sub 2}O{sub 8} and positive thermal expansion above {approx}1100 K. While the cubic ReO{sub 3} structure type is often used as a simple illustration of how negative thermal expansion can arise from the thermally induced rocking of rigid structural units, ScF{sub 3} is the first material with this structure to provide a clear experimental illustration of this mechanism for NTE.},
doi = {10.1021/ja106711v},
journal = {J. Am. Chem. Soc.},
number = Oct. 19, 2010,
volume = 132,
place = {United States},
year = {2010},
month = {10}
}