%0 Journal Article
%T First-principles study on the doped concentration effect on electron lifespan and absorption spectrum of Eu-doping anatase TiO2<br>Eu掺杂量对锐钛矿相TiO2电子寿命和吸收光谱影响的第一性原理研究
%A Li Cong
%A Hou Qing-Yu
%A Zhang Zhen-Duo
%A Zhang Bing
%A <br>李聪
%A 侯清玉
%A 张振铎
%A 张冰
%J 物理学报
%D 2012
%I 
%X Based on first principles within the density-functional theory, we establish three different concentration Eu-doping anatase TiO2 models by using the plane-wave ultrasoft pseudopotential method. We calculate the density of states, the electron density difference, the band structure and the absorption spectrum. The results show that Eu creates an impurity level in the band gap of TiO2 and a redshift in absorption spectrum of anatase TiO2. By comparing the bands of anatase TiO2, with two different Eu-doping concentrations (1.39 at% and 2.08 at%) we find that more Eu atoms make the impurity level deeper, the recombination rate bigger, and the electron lifespan shorter.
%K Eu-doping anataseTiO2
%K lifespan of electron
%K absorption spectrum
%K first-principles<br>Eu掺锐钛矿TiO2
%K 电子寿命
%K 吸收光谱
%K 第一性原理
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=78F360FC29C47911DB85C57750E65B8D&yid=99E9153A83D4CB11&vid=1D0FA33DA02ABACD&iid=DF92D298D3FF1E6E&sid=BDED0619161EAD3B&eid=4C7A50BA67349B6E&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=27