Role of Ti-rich in SrTiO3

来源 :中国物理学会2011年秋季学术会议 | 被引量 : 0次 | 上传用户:zbrichard
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
We perform the calculations in Sr7Ti9O14 (Sr/Ti=7/9=77.7%) and discuss the effects of Ti-rich on the ferroelectricity and ferromagnetism.And the bandstructure and DOS(density of state) calculation is perfored and a band gap of 2.82eV is yielded using the GGA+U method while the experiment gap is 3.3eV.We adopt the former value of U=5 eV and J=0.64 eV for Ti 3d orbitals.
其他文献
采用固相法制备了xwt%Ba0.6Sr0.4TiO3-(1-x)wt%[0.4La(Mg0.5Ti0.5)O3-0.6(La0.5Na0.5)TiO3] (x=0.30,0.40,0.50,0.60,0.70,0.80,0.90,0.95)陶瓷.研究了该体系偏场下的介电非线性行为,发现了一种异常介电非线性现象,即介电常数随偏置电场的增大而增加;在不同频率下测量了该体系的低温介电温谱(-120~10
The temperature and entropy of the dielectric material can change with the applied electric field in adiabatic condition,which is called electrocaloric (EC) effect.The EC effect has attracted great in
会议
会议