Paper Title:
First Principle Study on Electronic Structure of Nanocrystalline BaTiO3 Ceramics
  Abstract

The full potential linearized augmented plane wave method within the generalized gradient approximation was used to calculate electronic structure of nanocrystalline BaTiO3 ceramics. We calculated the total and partial density of states of 50 nm BaTiO3 ceramics. The results show that the atoms distribution of nanograin BaTiO3 ceramics is different from those of coarse BaTiO3 ceramics. It is also revealed that the hybridization between Ti 3d and O 2p is very strong, which is very important to the ferroelectric stability of nanocrystalline BaTiO3 ceramics.

  Info
Periodical
Key Engineering Materials (Volumes 336-338)
Edited by
Wei Pan and Jianghong Gong
Pages
2510-2512
DOI
10.4028/www.scientific.net/KEM.336-338.2510
Citation
X. Y. Deng, L. T. Li, X. H. Wang, Z. L. Gui, "First Principle Study on Electronic Structure of Nanocrystalline BaTiO3 Ceramics", Key Engineering Materials, Vols. 336-338, pp. 2510-2512, 2007
Online since
April 2007
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Zhi Wu Chen, Zhen Ya Lu
Abstract:A lead-free piezoelectric ceramic ternary system based on (Bi0.5Na0.5)TiO3 (BNT)-(Bi0.5 K0.5)TiO3(BKT)-BaTiO3(BT) near the morphotropic...
54
Authors: Long Tu Li, Tian Wang, Xiao Hui Wang, Jing Chang Zhao, Xian Li
Abstract:Dielectric characteristics of strontium titanate based ceramics doped with samarium were investigated within temperature range from –60oC to...
158
Authors: Qiang Chen, De Jun Lan, Yi Chen, Du Min Lin, Xi Yue, Ding Quan Xiao, Jian Guo Zhu
Abstract:Lead-free piezoelectric ceramics lithium sodium potassium niobate (LixNayK1-x-y)NbO3 (LNKN100x/100y) have been synthesized by a conventional...
199
Authors: Yun Xia Zhang, Jun Jie Hao, Jun Ting Qi
Building Materials
Abstract:In this paper, the effect of Nb2O5 on the microstructure and dielectric properties of BaTiO3-based ceramics...
1108
Authors: Chun Hong Mu, Ying Li Liu, Yuan Qiang Song, Huai Wu Zhang, Peng Liu
Abstract:CaCu3Ti4O12 presents colossal dielectric permittivity within a large temperature and frequency range, which...
321