Annealing effects on the structural and dielectric properties of (Nb plus In) co-doped rutile TiO2 ceramics

被引：13

作者：

Zhao, Lanling ^{[1
,4
]}

Wang, Jun ^{[2
]}

Gai, Zhigang ^{[1
]}

Li, Jichao ^{[1
]}

Liu, Jian ^{[1
]}

Wang, Jiyang ^{[3
]}

Wang, Chunlei ^{[1
]}

Wang, Xiaolin ^{[4
]}

机构：

[1] Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peoples R China

[2] Shandong Univ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan 250061, Shandong, Peoples R China

[3] Shandong Univ, Inst Crystal Mat, Jinan 250100, Shandong, Peoples R China

[4] Univ Wollongong, Inst Superconducting & Elect Mat, Wollongong, NSW 2500, Australia

来源：

RSC ADVANCES | 2019年 / 9卷 / 15期

基金：

中国博士后科学基金;

关键词：

INITIO MOLECULAR-DYNAMICS; COLOSSAL PERMITTIVITY; RAMAN-SPECTRA;

D O I：

10.1039/c9ra00564a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Density functional theory calculations were conducted to investigate the electronic structures of rutile Ti16O32, Ti13Nb2InO32, and Ti13Nb2InO31 systems. High density (Nb + In) co-doped rutile TiO2 ceramics were successfully prepared by one modified solid state method. XRD, XPS, Raman scattering and FT-IR measurements were performed to investigate the structural properties of the (Nb + In) co-doped rutile TiO2 ceramics annealed in different atmospheres. The lattice parameters for the (Nb + In) co-doped rutile TiO2 ceramics were enlarged slightly after they were annealed in air and oxygen. Raman scattering results indicate that the E-g modes are quite sensitive to oxygen vacancy in comparison with the other Raman active modes. The ceramics annealed in oxygen at 873 K exhibit the best dielectric performance with giant dielectric permittivity (>14 000) and small dielectric loss (<0.2) over the frequency range from 40 Hz to 1 MHz.

引用

页码：8364 / 8368

页数：5

共 28 条

[1] RAMAN-SPECTRA OF STOICHIOMETRIC AND DEFECT RUTILE [J].

BETSCH, RJ ;

PARK, HL ;

WHITE, WB .

MATERIALS RESEARCH BULLETIN, 1991, 26 (07) :613-622

[2] IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS [J].

BLOCHL, PE ;

JEPSEN, O ;

ANDERSEN, OK .

PHYSICAL REVIEW B, 1994, 49 (23) :16223-16233

[3] Novel ferroelectric polymer composites with high dielectric constants [J].

Dang, ZM ;

Lin, YH ;

Nan, CW .

ADVANCED MATERIALS, 2003, 15 (19) :1625-+

[4] Synthesis, characterization and effect of calcination temperature on phase transformation and photocatalytic activity of Cu,S-codoped TiO2 nanoparticles [J].

Hamadanian, M. ;

Reisi-Vanani, A. ;

Majedi, A. .

APPLIED SURFACE SCIENCE, 2010, 256 (06) :1837-1844

[5] Hybrid functionals based on a screened Coulomb potential [J].

Heyd, J ;

Scuseria, GE ;

Ernzerhof, M .

JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (18) :8207-8215

[6] Optical response of high-dielectric-constant perovskite-related oxide [J].

Homes, CC ;

Vogt, T ;

Shapiro, SM ;

Wakimoto, S ;

Ramirez, AP .

SCIENCE, 2001, 293 (5530) :673-676

[7]

Hu WB, 2013, NAT MATER, V12, P821, DOI [10.1038/NMAT3691, 10.1038/nmat3691]

[8] High-dielectric-constant all-polymer percolative composites [J].

Huang, C ;

Zhang, QM ;

Su, J .

APPLIED PHYSICS LETTERS, 2003, 82 (20) :3502-3504

[9] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186

[10] ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 47 (01) :558-561

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