Dielectric Responses of (Zn0.33Nb0.67)xTi1-xO2 Ceramics Prepared by Chemical Combustion Process: DFT and Experimental Approaches

被引:3
作者
Nachaithong, Theeranuch [1 ]
Moontragoon, Pairot [2 ,3 ,4 ]
Thongbai, Prasit [4 ]
机构
[1] Khon Kaen Univ, Fac Sci, Mat Sci & Nanotechnol Program, Khon Kaen 40002, Thailand
[2] Khon Kaen Univ, Inst Nanomat Res & Innovat Energy IN RIE, Khon Kaen 40002, Thailand
[3] Commiss Higher Educ, Thailand Ctr Excellence Phys, Bangkok 10400, Thailand
[4] Khon Kaen Univ, Fac Sci, Dept Phys, Khon Kaen 40002, Thailand
来源
MOLECULES | 2022年 / 27卷 / 18期
关键词
TiO2; electron hopping; dielectric constant; loss tangent; DFT; CO-DOPED TIO2; COLOSSAL PERMITTIVITY; BARRIER; RELAXATION;
D O I
10.3390/molecules27186121
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The (Zn, Nb)-codoped TiO2 (called ZNTO) nanopowder was successfully synthesized by a simple combustion process and then the ceramic from it was sintered with a highly dense microstructure. The doped atoms were consistently distributed, and the existence of oxygen vacancies was verified by a Raman spectrum. It was found that the ZNTO ceramic was a result of thermally activated giant dielectric relaxation, and the outer surface layer had a slight effect on the dielectric properties. The theoretical calculation by using the density functional theory (DFT) revealed that the Zn atoms are energy preferable to place close to the oxygen vacancy (Vo) position to create a triangle shape (called the ZnVoTi defect). This defect cluster was also opposite to the diamond shape (called the 2Nb2Ti defect). However, these two types of defects were not correlated together. Therefore, it theoretically confirms that the electron-pinned defect-dipoles (EPDD) cannot be created in the ZNTO structure. Instead, the giant dielectric property of the (Zn0.33Nb0.67)(x)Ti1-xO2 ceramics could be caused by the interfacial polarization combined with electron hopping between the Zn2+/Zn3+ and Ti3+/Ti4+ ions, rather than due to the EPDD effect. Additionally, it was also proved that the surface barrier-layer capacitor (SBLC) had a slight influence on the giant dielectric properties of the ZNTO ceramics. The annealing process can cause improved dielectric properties, which are properties with a huge advantage to practical applications and devices.
引用
收藏
页数:11
相关论文
共 28 条
[1]   Colossal Dielectric Permittivity in (Nb plus Al) Codoped Rutile TiO2 Ceramics: Compositional Gradient and Local Structure [J].
Hu, Wanbiao ;
Lau, Kenny ;
Liu, Yun ;
Withers, Ray L. ;
Chen, Hua ;
Fu, Lan ;
Gong, Bill ;
Hutchison, Wayne .
CHEMISTRY OF MATERIALS, 2015, 27 (14) :4934-4942
[2]  
Hu WB, 2013, NAT MATER, V12, P821, DOI [10.1038/NMAT3691, 10.1038/nmat3691]
[3]   Effects of Bi3+ doping on microstructure and dielectric properties of CaCu3Ti4O12/CaTiO3 composite ceramics [J].
Jumpatam, Jutapol ;
Thongbai, Prasit ;
Yamwong, Teerapon ;
Maensiri, Santi .
CERAMICS INTERNATIONAL, 2015, 41 :S498-S503
[4]   Dielectric relaxation in A2FeNbO6 (A = Ba, Sr, and Ca) perovskite ceramics [J].
Ke, Shanming ;
Fan, Huiqing ;
Huang, Haitao .
JOURNAL OF ELECTROCERAMICS, 2009, 22 (1-3) :252-256
[5]   Towards enhanced varistor property and lower dielectric loss of CaCu3Ti4O12 based ceramics [J].
Li, Jianying ;
Wu, Kangning ;
Jia, Ran ;
Hou, Linlin ;
Gao, Lu ;
Li, Shengtao .
MATERIALS & DESIGN, 2016, 92 :546-551
[6]   Microstructure and dielectric properties of (Nb plus In) co-doped rutile TiO2 ceramics [J].
Li, Jinglei ;
Li, Fei ;
Zhuang, Yongyong ;
Jin, Li ;
Wang, Linghang ;
Wei, Xiaoyong ;
Xu, Zhuo ;
Zhang, Shujun .
JOURNAL OF APPLIED PHYSICS, 2014, 116 (07)
[7]   Sol-gel derived CaCu3Ti4O12 ceramics:: Synthesis, characterization and electrical properties [J].
Liu, Laijun ;
Fan, Huiqing ;
Fang, Pinyang ;
Chen, Xiuli .
MATERIALS RESEARCH BULLETIN, 2008, 43 (07) :1800-1807
[8]   Dielectric and impedance characteristics of Na1/3Ca1/3Y1/3Cu3Ti4O12 ceramic prepared by solid-state reaction method [J].
Liu, Yang ;
Zhao, Xuguang ;
Zhang, Chujun .
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2016, 27 (11) :11757-11761
[9]   High dielectric permittivity of Li and Sc co-doped NiO ceramics [J].
Liu, Yang ;
Wang, Wenchao ;
Huang, Jiquan ;
Zhu, Chen ;
Wang, Chong ;
Cao, Yongge .
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2014, 25 (03) :1298-1302
[10]   Nonintrinsic origin of the colossal dielectric constants in CaCu3Ti4O12 -: art. no. 172102 [J].
Lunkenheimer, P ;
Fichtl, R ;
Ebbinghaus, SG ;
Loidl, A .
PHYSICAL REVIEW B, 2004, 70 (17) :1-4