Jiang Kai, Zhao Run, Zhang Peng, Deng Qinglin, Zhang Jinzhong, Li Wenwu, Hu Zhigao, Yang Hao, Chu Junhao
Key Laboratory of Polar Materials and Devices, Ministry of Education, Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
Phys Chem Chem Phys. 2015 Dec 21;17(47):31618-23. doi: 10.1039/c5cp06318c. Epub 2015 Nov 16.
Post-annealing has been approved to effectively relax the out-of-plane strain in thin films. Epitaxial EuTiO3 (ETO) thin films, with and without strain, have been fabricated on (001) LaAlO3 substrates by pulsed laser deposition. The absorption and electronic transitions of the ETO thin films are investigated by means of temperature dependent transmittance spectra. The antiferrodistortive phase transition can be found at about 260-280 K. The first-principles calculations indicate there are two interband electronic transitions in ETO films. Remarkably, the direct optical band gap and higher interband transition for ETO films show variation in trends with different strains and temperatures. The strain leads to a band gap shrinkage of about 240 meV while the higher interband transition an expansion of about 140 meV. The hardening of the interband transition energies in ETO films with increasing temperature can be attributed to the Fröhlich electron-phonon interaction. The behavior can be linked to the strain and low temperature modified valence electronic structure, which is associated with rotations of the TiO6 octahedra.
退火后已被证实能有效弛豫薄膜中的面外应变。通过脉冲激光沉积在(001)LaAlO₃衬底上制备了有应变和无应变的外延EuTiO₃(ETO)薄膜。利用变温透射光谱研究了ETO薄膜的吸收和电子跃迁。在约260 - 280K可发现反铁电畸变相变。第一性原理计算表明ETO薄膜中有两种带间电子跃迁。值得注意的是,ETO薄膜的直接光学带隙和较高的带间跃迁随不同应变和温度呈现出不同的变化趋势。应变导致带隙缩小约240meV,而较高的带间跃迁则扩展约140meV。ETO薄膜中带间跃迁能量随温度升高而硬化可归因于弗罗利希电子 - 声子相互作用。这种行为与应变和低温改性的价电子结构有关,而价电子结构与TiO₆八面体的旋转相关。