%0 Journal Article
%T Theoretical research of correlation of electronic structure with birefringence and anisotropy of TiO2<br>TiO2电子结构与其双折射性、各向异性 关联的理论研究
%A Zhang Yong-Wei
%A Yin Chun-Hao
%A Zhao Qiang
%A Li Fu-Qiang
%A Zhu Shan-Shan
%A Liu Hai-Shun
%A <br>张永伟
%A 殷春浩
%A 赵强
%A 李富强
%A 朱姗姗
%A 刘海顺
%J 物理学报
%D 2012
%I 
%X The crystal structure, the band structure, and the density of states of anatase TiO2 are analysed by using the plane-wave ultrasoft pseudopotential method of the first principles based on the density functional theory. Then we calculate optical properties such as dielectric function, energy loss function, photoconductivity systematically based on the results of electronic structure, and analyse the correlation of electronic structure with birefringence and anisotropy. The obtained results are consistent well with the reported results in the literature, revealing the natures of electronic structure of TiO2 and its birefringence as well as anisotropy theoretically.
%K electronic structure
%K anisotropy
%K birefringence<br>电子结构
%K 各向异性
%K 双折射
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=4C92C33EB4B06FC5A680F24E4D0AF5FD&yid=99E9153A83D4CB11&vid=1D0FA33DA02ABACD&iid=0B39A22176CE99FB&sid=A287ACC2981EDE5E&eid=A287ACC2981EDE5E&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=23