Large negative thermal expansion in non-perovskite lead-free ferroelectric Sn2P2S6

Yangchun Rong; Menglei Li; Jun Chen; Mei Zhou; Kun Lin; Lei Hu; Wenxia Yuan; Wenhui Duan; Jinxia Deng; Xianran Xing

doi:10.1039/c6cp00011h

Large negative thermal expansion in non-perovskite lead-free ferroelectric Sn₂P₂S₆

Yangchun Rong
, Menglei Li
, Jun Chen
, Mei Zhou
, Kun Lin
, Lei Hu
, Wenxia Yuan
, Wenhui Duan
, Jinxia Deng
, Xianran Xing

School of Materials Science and Engineering

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

27 Scopus citations

Abstract

Functional materials showing both negative thermal expansion (NTE) and physical performance, such as ferroelectricity and magnetism, have been extensively explored in the past decade. However, among ferroelectrics a remarkable NTE was only found in perovskite-type PbTiO₃-based compounds. In this work, a large NTE of-4.7 × 10^-5 K^-1 is obtained in the non-perovskite lead-free ferroelectric Sn₂P₂S₆ from 243 K to T_C (338 K). Structure refinements and first-principle calculations reveal the effects of the Sn(ii) 5s-S 3p interaction on spontaneous polarization and its correlation with NTE. Then the mechanism of spontaneous volume ferroelectrostriction (SVFS) is verified and it could well elucidate the nature of NTE in ferroelectric Sn₂P₂S₆. This is the first case to demonstrate the unusual NTE behavior by SVFS in a non-perovskite lead-free ferroelectric material.

Original language	English
Pages (from-to)	6247-6251
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	18
Issue number	8
DOIs	https://doi.org/10.1039/c6cp00011h
State	Published - 2016

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title = "Large negative thermal expansion in non-perovskite lead-free ferroelectric Sn2P2S6",

abstract = "Functional materials showing both negative thermal expansion (NTE) and physical performance, such as ferroelectricity and magnetism, have been extensively explored in the past decade. However, among ferroelectrics a remarkable NTE was only found in perovskite-type PbTiO3-based compounds. In this work, a large NTE of-4.7 × 10-5 K-1 is obtained in the non-perovskite lead-free ferroelectric Sn2P2S6 from 243 K to TC (338 K). Structure refinements and first-principle calculations reveal the effects of the Sn(ii) 5s-S 3p interaction on spontaneous polarization and its correlation with NTE. Then the mechanism of spontaneous volume ferroelectrostriction (SVFS) is verified and it could well elucidate the nature of NTE in ferroelectric Sn2P2S6. This is the first case to demonstrate the unusual NTE behavior by SVFS in a non-perovskite lead-free ferroelectric material.",

author = "Yangchun Rong and Menglei Li and Jun Chen and Mei Zhou and Kun Lin and Lei Hu and Wenxia Yuan and Wenhui Duan and Jinxia Deng and Xianran Xing",

note = "Publisher Copyright: {\textcopyright} 2016 the Owner Societies.",

year = "2016",

doi = "10.1039/c6cp00011h",

language = "英语",

volume = "18",

pages = "6247--6251",

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TY - JOUR

T1 - Large negative thermal expansion in non-perovskite lead-free ferroelectric Sn2P2S6

AU - Rong, Yangchun

AU - Li, Menglei

AU - Chen, Jun

AU - Zhou, Mei

AU - Lin, Kun

AU - Hu, Lei

AU - Yuan, Wenxia

AU - Duan, Wenhui

AU - Deng, Jinxia

AU - Xing, Xianran

PY - 2016

Y1 - 2016

N2 - Functional materials showing both negative thermal expansion (NTE) and physical performance, such as ferroelectricity and magnetism, have been extensively explored in the past decade. However, among ferroelectrics a remarkable NTE was only found in perovskite-type PbTiO3-based compounds. In this work, a large NTE of-4.7 × 10-5 K-1 is obtained in the non-perovskite lead-free ferroelectric Sn2P2S6 from 243 K to TC (338 K). Structure refinements and first-principle calculations reveal the effects of the Sn(ii) 5s-S 3p interaction on spontaneous polarization and its correlation with NTE. Then the mechanism of spontaneous volume ferroelectrostriction (SVFS) is verified and it could well elucidate the nature of NTE in ferroelectric Sn2P2S6. This is the first case to demonstrate the unusual NTE behavior by SVFS in a non-perovskite lead-free ferroelectric material.

AB - Functional materials showing both negative thermal expansion (NTE) and physical performance, such as ferroelectricity and magnetism, have been extensively explored in the past decade. However, among ferroelectrics a remarkable NTE was only found in perovskite-type PbTiO3-based compounds. In this work, a large NTE of-4.7 × 10-5 K-1 is obtained in the non-perovskite lead-free ferroelectric Sn2P2S6 from 243 K to TC (338 K). Structure refinements and first-principle calculations reveal the effects of the Sn(ii) 5s-S 3p interaction on spontaneous polarization and its correlation with NTE. Then the mechanism of spontaneous volume ferroelectrostriction (SVFS) is verified and it could well elucidate the nature of NTE in ferroelectric Sn2P2S6. This is the first case to demonstrate the unusual NTE behavior by SVFS in a non-perovskite lead-free ferroelectric material.

UR - https://www.scopus.com/pages/publications/84959010895

U2 - 10.1039/c6cp00011h

DO - 10.1039/c6cp00011h

M3 - 文章

AN - SCOPUS:84959010895

SN - 1463-9076

VL - 18

SP - 6247

EP - 6251

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 8

ER -

Large negative thermal expansion in non-perovskite lead-free ferroelectric Sn₂P₂S₆

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