纯相BiFeO3的热稳定和热膨胀性质研究

doi:10.15541/jim20190005

摘要/Abstract

摘要：

本研究利用原位高温衍射和高温拉曼技术对纯相BiFeO₃粉体的热稳性和热膨胀性质进行了系统的解析。在升温阶段BiFeO₃始终保持斜方的R3c结构, 但是在降温阶段少量BiFeO₃会分解成为Bi₂Fe₄O₉和Bi₂₅FeO₃₉, 这种分解可能是由氧八面体的倾斜畸变引起的。此外, 还研究了BiFeO₃热力学膨胀系数, 发现它具有各向同性正膨胀性。以上结果也被拉曼光谱所证实。本研究的结果可为制备纯相BiFeO₃材料提供实验指导。

关键词: 铁酸铋, 相变, 热膨胀系数, 高温X射线衍射, 高温拉曼光谱

Abstract:

The thermodynamic stability and thermal expansion of pure-phase BiFeO₃ multiferroic are studied using in-situ high temperature X-ray diffraction (HT-XRD), and high temperature Raman spectroscopy (HT-Raman). BiFeO₃ keeps its rhombohedral structure with space group of R3c in heating process. However, minor BiFeO₃ could decompose to Bi₂Fe₄O₉ and Bi₂₅FeO₃₉ in cooling process, which may be induced by its oxygen octahedron tilt distortion. In addition, the thermal expansion coefficients of BiFeO₃ are also investigated, showing an isotropic and positive behavior. These results are further confirmed by Raman spectrum analysis. This work may benefit for the preparation of pure-phase BiFeO₃.

Key words: BiFeO₃, phase transition, thermal expansion coefficients, HT-XRD, HT-Raman

中图分类号:

TQ174

程国峰, 阮音捷, 孙玥, 尹晗迪. 纯相BiFeO₃的热稳定和热膨胀性质研究[J]. 无机材料学报, 2019, 34(10): 1128-1133.

CHENG Guo-Feng, RUAN Yin-Jie, SUN Yue, YIN Han-Di. Thermodynamic Stability and Thermal Expansion of Pure-phase BiFeO₃[J]. Journal of Inorganic Materials, 2019, 34(10): 1128-1133.

图/表 10

参考文献 26

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T/℃	Lattice parameter
T/℃	a/nm	c/nm	V/nm³
25	0.5579253(74)	1.387086(20)	0.373926(11)
100	0.5582803(68)	1.388433(20)	0.374766(11)
200	0.5588673(71)	1.390434(20)	0.376096(11)
300	0.5594514(79)	1.392472(23)	0.377435(12)
400	0.5601610(83)	1.394704(24)	0.378999(13)
500	0.5608080(19)	1.396426(49)	0.380344(29)
600	0.5614370(21)	1.397813(54)	0.381577(32)
700	0.5621000(24)	1.398977(61)	0.382797(36)
800	0.5628300(22)	1.399778(58)	0.384011(34)

T/℃	Lattice parameter
T/℃	a/nm	c/nm	V/nm³
25	0.5579253(74)	1.387086(20)	0.373926(11)
100	0.5582803(68)	1.388433(20)	0.374766(11)
200	0.5588673(71)	1.390434(20)	0.376096(11)
300	0.5594514(79)	1.392472(23)	0.377435(12)
400	0.5601610(83)	1.394704(24)	0.378999(13)
500	0.5608080(19)	1.396426(49)	0.380344(29)
600	0.5614370(21)	1.397813(54)	0.381577(32)
700	0.5621000(24)	1.398977(61)	0.382797(36)
800	0.5628300(22)	1.399778(58)	0.384011(34)

T/℃	Atom position									R_wp/%
	Bi			Fe			O
	x	y	z	x	y	z	x	y	z
25	0	0	0	0	0	0.22124(27)	0.46400(22)	0.01990(16)	0.95452(57)	5.87
100	0	0	0	0	0	0.22129(30)	0.46160(21)	0.02330(17)	0.95583(57)	5.98
200	0	0	0	0	0	0.22227(29)	0.44790(19)	0.02350(18)	0.95600(65)	6.05
300	0	0	0	0	0	0.22039(28)	0.45230(18)	0.03560(17)	0.95718(64)	5.96
400	0	0	0	0	0	0.22192(29)	0.43660(18)	0.02550(18)	0.95829(68)	5.82
500	0	0	0	0	0	0.22325(32)	0.42590(23)	0.01370(23)	0.95869(84)	5.88
600	0	0	0	0	0	0.22484(36)	0.41590(23)	0.01790(24)	0.96229(85)	6.07
700	0	0	0	0	0	0.22400(38)	0.43700(19)	0.00720(18)	0.95701(67)	5.6
800	0	0	0	0	0	0.22376(49)	0.43290(20)	0.01880(21)	0.95832(77)	6.02

T/℃	Atom position									R_wp/%
	Bi			Fe			O
	x	y	z	x	y	z	x	y	z
25	0	0	0	0	0	0.22124(27)	0.46400(22)	0.01990(16)	0.95452(57)	5.87
100	0	0	0	0	0	0.22129(30)	0.46160(21)	0.02330(17)	0.95583(57)	5.98
200	0	0	0	0	0	0.22227(29)	0.44790(19)	0.02350(18)	0.95600(65)	6.05
300	0	0	0	0	0	0.22039(28)	0.45230(18)	0.03560(17)	0.95718(64)	5.96
400	0	0	0	0	0	0.22192(29)	0.43660(18)	0.02550(18)	0.95829(68)	5.82
500	0	0	0	0	0	0.22325(32)	0.42590(23)	0.01370(23)	0.95869(84)	5.88
600	0	0	0	0	0	0.22484(36)	0.41590(23)	0.01790(24)	0.96229(85)	6.07
700	0	0	0	0	0	0.22400(38)	0.43700(19)	0.00720(18)	0.95701(67)	5.6
800	0	0	0	0	0	0.22376(49)	0.43290(20)	0.01880(21)	0.95832(77)	6.02

纯相BiFeO₃的热稳定和热膨胀性质研究

Thermodynamic Stability and Thermal Expansion of Pure-phase BiFeO₃

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