Na1.88Bi1.88S4和Na1.36Ca1.28Bi1.36S4单晶制备与结构及其光学性能表征

doi:10.15541/jim20170138

无机材料学报 ›› 2018, Vol. 33 ›› Issue (1): 100-106.DOI: 10.15541/jim20170138

Na_1.88Bi_1.88S₄和Na_1.36Ca_1.28Bi_1.36S₄单晶制备与结构及其光学性能表征

王东^1,2, 贺剑桥², 赖晓芳^3,4, 黄荣铁², 施鹰¹, 徐丽⁵, 黄富强^2,3

1. 上海大学材料科学与工程学院,上海 200444;
2. 中国科学院上海硅酸盐研究所,高性能陶瓷和超微结构国家重点实验室,上海 200050;
3. 北京大学化学与分子工程学院,北京分子科学国家实验室, 稀土材料化学及应用国家重点实验室,北京 100871;
4. 广东工业大学物理与光电工程学院,广州 510006;
5. 全球能源互联网研究院,先进输电技术国家重点实验室,电工新材料技术联合实验室,北京 102209

收稿日期:2017-03-27 出版日期:2018-01-23 网络出版日期:2017-12-15

Na_1.88Bi_1.88S₄ and Na_1.36Ca_1.28Bi_1.36S₄ Single Crystals: Growth, Structure and Optical Property

WANG Dong^1,2, HE Jiao-Qiao², LAI Xiao-Fang^3,4, HUANG Rong-Tie², SHI Ying¹, HUANG Fu-Qiang^2,3

1. School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China;
2. State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;
3. State Key Laboratory of Rare Earth Materials Chemistry and Applications and Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China;
4. School of Physics and Optoelectronic Engineering, Guangdong University of Technology, Guangzhou 510006, China;
5. Material Laboratory of State Grid Corporation of China, State Key Laboratory of Advanced Transmission Technology, Global Energy Interconnection Research Institute, Beijing 102209, China

Received:2017-03-27 Published:2018-01-23 Online:2017-12-15
Supported by:
Foundation item: National Key Research and Development Program (2016YFB0901600);Science and Technology Commission of Shanghai (16JC1401700);National Natural Science Foundation of China (11404358, 51402335)

摘要/Abstract

摘要：

采用碘化钠为助熔剂,通过固相反应法制备了两种晶体质量较好的Na_1.88Bi_1.88S₄和Na_1.36Ca_1.28Bi_1.36S₄单晶。测试结果表明,它们属于氯化钠结构,面心立方,空间群为Fm-3m。形貌表征和物性测试结果表明,在碘化钠的作用下,化合物Na_1.88Bi_1.88S₄和Na_1.36Ca_1.28Bi_1.36S₄呈现双锥状形貌,沿(111)晶面择优取向生长,带隙分别为1.29和1.45 eV。通过光电器件性能测试,发现两种化合物均表现出良好的光电响应特性,说明它们可以作为一类潜在的、性能优良的光电开关材料。

关键词: 单晶生长, Na1.88Bi1.88S4, Na1.36Ca1.28Bi1.36S4, 半导体材料

Abstract:

Na_1.88Bi_1.88S4 and Na_1.36Ca_1.28Bi_1.36S₄ single crystals of high quality were successfully synthesized by solid-state reaction method using NaI as flux. Both compounds crystallize in the rocksalt structure type of a cubic Fm-3m space group. The preferred orientation growth of lattice face (111) were observed in both two compounds. The optical absorption measurements show that the band gap of Na_1.88Bi_1.88S₄ and Na_1.36Ca_1.28Bi_1.36S₄ compounds are 1.29 eV and 1.45 eV, respectively. Two compounds were fabricated into devices that exhibit notable photoelectric behavior, suggesting their potential for applications as photoelectric switches.

Key words: single crystal growth, Na1.88Bi1.88S4, Na1.36Ca1.28Bi1.36S4, semiconducting materials

中图分类号:

O782

王东, 贺剑桥, 赖晓芳, 黄荣铁, 施鹰, 徐丽, 黄富强. Na_1.88Bi_1.88S₄和Na_1.36Ca_1.28Bi_1.36S₄单晶制备与结构及其光学性能表征[J]. 无机材料学报, 2018, 33(1): 100-106.

WANG Dong, HE Jiao-Qiao, LAI Xiao-Fang, HUANG Rong-Tie, SHI Ying, HUANG Fu-Qiang. Na_1.88Bi_1.88S₄ and Na_1.36Ca_1.28Bi_1.36S₄ Single Crystals: Growth, Structure and Optical Property[J]. Journal of Inorganic Materials, 2018, 33(1): 100-106.

图/表 9

参考文献 36

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Formula	Na_1.88Bi_1.88S₄	Na_1.36Ca_1.28Bi_1.36S₄
Formula weight/(g•mol^-1)	563.42	495.02
Temperature/K	273	273
Wavelength/nm	0.07107	0.07107
Space group	Fm-3m	Fm-3m
Crystal system	cubic	cubic
Unit cell/nm	0.57715(3)	0.5745(4)
V/nm³	0.19225(3)	0.1896(4)
Z	1	1
ρ/(g•cm^-3)	4.866	4.336
Index ranges	-6 ≤ h ≤ 6, -6 ≤k≤ 6, -6 ≤ l ≤ 6	-7 ≤ h ≤7, -7 ≤k≤ 7, -7≤l≤ 6
Reflns collected	1428	773
Unique reflns	18	22
Goodness-of- fits on F²	1.447	1.317
R₁[I > 2σ(I)]	0.0106(2)	0.0154(2)
wR₂[I > 2σ(I)]	0.0236(2)	0.0314(2)
R₁(all)	0.0106(2)	0.0154(2)
wR₂(all)	0.0236(2)	0.0314(2)

Formula	Na_1.88Bi_1.88S₄	Na_1.36Ca_1.28Bi_1.36S₄
Formula weight/(g•mol^-1)	563.42	495.02
Temperature/K	273	273
Wavelength/nm	0.07107	0.07107
Space group	Fm-3m	Fm-3m
Crystal system	cubic	cubic
Unit cell/nm	0.57715(3)	0.5745(4)
V/nm³	0.19225(3)	0.1896(4)
Z	1	1
ρ/(g•cm^-3)	4.866	4.336
Index ranges	-6 ≤ h ≤ 6, -6 ≤k≤ 6, -6 ≤ l ≤ 6	-7 ≤ h ≤7, -7 ≤k≤ 7, -7≤l≤ 6
Reflns collected	1428	773
Unique reflns	18	22
Goodness-of- fits on F²	1.447	1.317
R₁[I > 2σ(I)]	0.0106(2)	0.0154(2)
wR₂[I > 2σ(I)]	0.0236(2)	0.0314(2)
R₁(all)	0.0106(2)	0.0154(2)
wR₂(all)	0.0236(2)	0.0314(2)

Atom	Symmetry	x	y	z		Occupancy
Na_1.88Bi_1.88S₄
Na	4a	0.5	1.0	0.5	0.0222(1)	0.47(2)
Bi	4a	0.5	1.0	0.5	0.0222(1)	0.47(2)
S	4b	1.0	0.5	0.5	0.0210(2)	1.00
Na_1.36Ca_1.28Bi_1.36S₄
Na	4b	0.5	0.5	0.5	0.0600(1)	0.34(2)
Ca	4b	0.5	0.5	0.5	0.0500(9)	0.32(3)
Bi	4b	0.5	0.5	0.5	0.0170(3)	0.34(2)
S	4a	1.0	0.5	0.5	0.0210(3)	1.00

Atom	Symmetry	x	y	z		Occupancy
Na_1.88Bi_1.88S₄
Na	4a	0.5	1.0	0.5	0.0222(1)	0.47(2)
Bi	4a	0.5	1.0	0.5	0.0222(1)	0.47(2)
S	4b	1.0	0.5	0.5	0.0210(2)	1.00
Na_1.36Ca_1.28Bi_1.36S₄
Na	4b	0.5	0.5	0.5	0.0600(1)	0.34(2)
Ca	4b	0.5	0.5	0.5	0.0500(9)	0.32(3)
Bi	4b	0.5	0.5	0.5	0.0170(3)	0.34(2)
S	4a	1.0	0.5	0.5	0.0210(3)	1.00

Atom	U₁₁	U₂₂	U₃₃	U₁₂	U₁₃	U₂₃
Na_1.88Bi_1.88S₄
Na	0.0222(3)	0.0222(3)	0.0222(3)	0	0	0
Bi	0.0222(3)	0.0222(3)	0.0222(3)	0	0	0
S	0.0213(5)	0.0213(5)	0.0213(5)	0	0	0
Na_1.36Ca_1.28Bi_1.36S₄
Na	0.0588(2)	0.0588(2)	0.0588(2)	0	0	0
Ca	0.0511(8)	0.0511(8)	0.0511(8)	0	0	0
Bi	0.0171(6)	0.0171(6)	0.0171(6)	0	0	0
S	0.0206(9)	0.0206(9)	0.0206(9)	0	0	0

Na_1.88Bi_1.88S₄和Na_1.36Ca_1.28Bi_1.36S₄单晶制备与结构及其光学性能表征

Na_1.88Bi_1.88S₄ and Na_1.36Ca_1.28Bi_1.36S₄ Single Crystals: Growth, Structure and Optical Property

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