Negative thermal expansion in (Sc,Ti)Fe2 induced by an unconventional magnetovolume effect

Yuzhu Song; Qiang Sun; Meng Xu; Ji Zhang; Yiqing Hao; Yongqiang Qiao; Shantao Zhang; Qingzhen Huang; Xianran Xing; Jun Chen

doi:10.1039/c9mh01025d

Negative thermal expansion in (Sc,Ti)Fe₂ induced by an unconventional magnetovolume effect

Yuzhu Song
, Qiang Sun
, Meng Xu
, Ji Zhang
, Yiqing Hao
, Yongqiang Qiao
, Shantao Zhang
, Qingzhen Huang
, Xianran Xing
, Jun Chen

Research output: Contribution to journal › Article › peer-review

58 Scopus citations

Abstract

Negative thermal expansion (NTE) has been found in some magnetic functional materials due to the magnetovolume effect (MVE), in which an order-to-disorder magnetic transition occurs. Here, we report an unconventional MVE which can induce the crossover from the common positive thermal expansion of the end members of ScFe₂ and TiFe₂ to the NTE in the solid solution of (Sc_1-xTi_x)Fe₂ (x = 0.6, α_V = -28.36 × 10^-6 K^-1, 125-205 K). The direct evidence of neutron powder diffraction and first-principles calculations discloses that the decrease of intrinsic magnetic moments at the Fe(2a) site results in the ferromagnetic transition from one to another, which causes a stronger negative contribution to thermal expansion than the conventional MVE. The pair distribution function analysis verifies that the decrease in the nearest distance of Fe(6h)-Fe(6h) lying in the ab plane results in the shrinkage of the a(b) axis. The analysis of anisotropic atomic displacement parameters excludes the phonon induced NTE mechanism. Furthermore, an intriguing zero thermal expansion has been found in Sc_0.55Ti_0.45Fe₂ (10-250 K). The present study provides an approach to achieve NTE or controllable thermal expansion, which may be used to enhance other magnetic-related effects, such as the magnetocaloric and barocaloric effect.

Original language	English
Pages (from-to)	275-281
Number of pages	7
Journal	Materials Horizons
Volume	7
Issue number	1
DOIs	https://doi.org/10.1039/c9mh01025d
State	Published - Jan 2020
Externally published	Yes

Funding

This work was supported by the National Natural Science Foundation of China (grant no. 21825102, 21731001 and 21590793), and the Fundamental Research Funds for the Central Universities, China (FRF-TP-18-001C2). This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. We thank Dr Chinwei Wang for collecting neutron powder diffraction data at the high-intensity diffractometer Wombat of the Australian Nuclear Science and Technology Organisation (ANSTO).

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title = "Negative thermal expansion in (Sc,Ti)Fe2 induced by an unconventional magnetovolume effect",

abstract = "Negative thermal expansion (NTE) has been found in some magnetic functional materials due to the magnetovolume effect (MVE), in which an order-to-disorder magnetic transition occurs. Here, we report an unconventional MVE which can induce the crossover from the common positive thermal expansion of the end members of ScFe2 and TiFe2 to the NTE in the solid solution of (Sc1-xTix)Fe2 (x = 0.6, αV = -28.36 × 10-6 K-1, 125-205 K). The direct evidence of neutron powder diffraction and first-principles calculations discloses that the decrease of intrinsic magnetic moments at the Fe(2a) site results in the ferromagnetic transition from one to another, which causes a stronger negative contribution to thermal expansion than the conventional MVE. The pair distribution function analysis verifies that the decrease in the nearest distance of Fe(6h)-Fe(6h) lying in the ab plane results in the shrinkage of the a(b) axis. The analysis of anisotropic atomic displacement parameters excludes the phonon induced NTE mechanism. Furthermore, an intriguing zero thermal expansion has been found in Sc0.55Ti0.45Fe2 (10-250 K). The present study provides an approach to achieve NTE or controllable thermal expansion, which may be used to enhance other magnetic-related effects, such as the magnetocaloric and barocaloric effect.",

author = "Yuzhu Song and Qiang Sun and Meng Xu and Ji Zhang and Yiqing Hao and Yongqiang Qiao and Shantao Zhang and Qingzhen Huang and Xianran Xing and Jun Chen",

note = "Publisher Copyright: {\textcopyright} 2019 The Royal Society of Chemistry.",

year = "2020",

month = jan,

doi = "10.1039/c9mh01025d",

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T1 - Negative thermal expansion in (Sc,Ti)Fe2 induced by an unconventional magnetovolume effect

AU - Song, Yuzhu

AU - Sun, Qiang

AU - Xu, Meng

AU - Zhang, Ji

AU - Hao, Yiqing

AU - Qiao, Yongqiang

AU - Zhang, Shantao

AU - Huang, Qingzhen

AU - Xing, Xianran

AU - Chen, Jun

PY - 2020/1

Y1 - 2020/1

N2 - Negative thermal expansion (NTE) has been found in some magnetic functional materials due to the magnetovolume effect (MVE), in which an order-to-disorder magnetic transition occurs. Here, we report an unconventional MVE which can induce the crossover from the common positive thermal expansion of the end members of ScFe2 and TiFe2 to the NTE in the solid solution of (Sc1-xTix)Fe2 (x = 0.6, αV = -28.36 × 10-6 K-1, 125-205 K). The direct evidence of neutron powder diffraction and first-principles calculations discloses that the decrease of intrinsic magnetic moments at the Fe(2a) site results in the ferromagnetic transition from one to another, which causes a stronger negative contribution to thermal expansion than the conventional MVE. The pair distribution function analysis verifies that the decrease in the nearest distance of Fe(6h)-Fe(6h) lying in the ab plane results in the shrinkage of the a(b) axis. The analysis of anisotropic atomic displacement parameters excludes the phonon induced NTE mechanism. Furthermore, an intriguing zero thermal expansion has been found in Sc0.55Ti0.45Fe2 (10-250 K). The present study provides an approach to achieve NTE or controllable thermal expansion, which may be used to enhance other magnetic-related effects, such as the magnetocaloric and barocaloric effect.

AB - Negative thermal expansion (NTE) has been found in some magnetic functional materials due to the magnetovolume effect (MVE), in which an order-to-disorder magnetic transition occurs. Here, we report an unconventional MVE which can induce the crossover from the common positive thermal expansion of the end members of ScFe2 and TiFe2 to the NTE in the solid solution of (Sc1-xTix)Fe2 (x = 0.6, αV = -28.36 × 10-6 K-1, 125-205 K). The direct evidence of neutron powder diffraction and first-principles calculations discloses that the decrease of intrinsic magnetic moments at the Fe(2a) site results in the ferromagnetic transition from one to another, which causes a stronger negative contribution to thermal expansion than the conventional MVE. The pair distribution function analysis verifies that the decrease in the nearest distance of Fe(6h)-Fe(6h) lying in the ab plane results in the shrinkage of the a(b) axis. The analysis of anisotropic atomic displacement parameters excludes the phonon induced NTE mechanism. Furthermore, an intriguing zero thermal expansion has been found in Sc0.55Ti0.45Fe2 (10-250 K). The present study provides an approach to achieve NTE or controllable thermal expansion, which may be used to enhance other magnetic-related effects, such as the magnetocaloric and barocaloric effect.

UR - https://www.scopus.com/pages/publications/85077628615

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DO - 10.1039/c9mh01025d

M3 - Article

AN - SCOPUS:85077628615

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EP - 281

JO - Materials Horizons

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ER -

Negative thermal expansion in (Sc,Ti)Fe₂ induced by an unconventional magnetovolume effect

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